Copyright is owned by the Author of the thesis. Permission is given for a copy to be downloaded by an individual for the purpose of research and private study only. The thesis may not be reproduced elsewhere without the permission of the Author. A Mathematical Analysis of Reaction Diffusion Systems in Chemical and Biological Reactors with Macro and Micro Structures A Thesis presented in partial fulfilment of the requirements for the degree of Doctor of Philosophy at Massey University by Aroon A. Parshotam, MSc(Hons), MPhil 1992 Declaration This thesis is submitted to Massey University and has not been submitted for a higher degree to any other University or Institution. Aroon Parshotam March,1992 Acknowledgements I wish to express my sincere gratitude to my supervisors, Prof. Graeme Wake, Dr. Alex McNabb and Assoc. Prof. Rao Bhamidimarri. Thanks are due also to Dr. Vijay Bhaskar for his help during the numerical part of this thesis and to coUegues Dr. Robert Sisson, Dr. Paul Bonnington, Robert Crawford and Mark Byrne for supporting me during this study. Finally, I wish to thank my parents Kanti and Olga Parshotam for supporting us over all those years of study and my wife Kavita for showing such great love and understanding, particularly during the final stages of my PhD. ii Contents Declaration Acknowledgements Contents Abstract 1 2 3 General Introduction 1.0 Introduction 1.1 The Physical Problem 1.2 The Plan of this Thesis 1 1.3 New Contributions of this Thesis 1.4 Other Potential Modelling Areas 1.5 Notes and Comments Model Development 2.0 Introduction 9 2.1 Generalised Particle Reactor Model Development 2.2 Notes and Comments The Unsteady S tate Problem 3.0 Introduction 13 3.1 DefiniLions, NotaLion and some General Results for Linear Parabolic Equations 3.2 Generalised Comparison Theorems 3.3 Uniqueness of Solutions to the Unsteady State Problem 3.4 Imbedding Results 3.5 Stability of Solutions and Uniqueness of Solutions LO the Steady StaLe Problem 3.6 Existence of Solutions to the Unsteady State Problem 3.7 NoLes and Comments ii ill v 1 1 4 5 6 8 9 9 1 1 13 13 23 46 47 5 1 55 86 iii 4 5 CONTENTS i v The Steady State Problem 88 4.0 Introduction 88 4.1 Definitions, Notation and some General Results for Linear Elliptic Equations 88 4.2 Imbedding Results 97 4.3 Existence of Solutions to the Steady State Problem 100 4.4 Relationships bctwccn Solutions of thc Stcady Statc and Unstcady Statc Problems 127 4.5 Notes and Comments 138 The Linear Problem 5.0 Introduction 5.1 Matrix Notation 140 5.2 Mean Action Times, Time Lag Constants and Mean Residence Times 5.3 Geometric Factorization 5.4 Notes and Comments 140 141 142 145 152 6 Examples 1 53 6.0 Introduction 153 6.1 A Simple Method for Obtaining Good Bounds for Solutions of a Bioparticle Model 155 6.2 Analytical Bounds to a Model of a Fluidised Bcd Biofilm Reactor (FBBR) 166 6.3 Monotone Iteration in the Construction or Upper and Lowcr Solutions 175 6.4 Uniqueness and Existence Theorems for a Model of an Artificial Kidney 192 6.5 A Fluidised Bed Biofilm Reactor (FBBR) Model involving Multicomponents 203 6.6 A Continuous Stirred Basket Reactor (CSTR) Model involving Multicomponents 21 1 6.7 NOlcS and CommenL<; 224 Bibliography and References 225 Abstract This thesis is concerned with generalised models for biological and chemical reactors such as the tubular, fiuidised, fixed, packed, continuously stirred and trickle bed reactors. Suppose n chemical components at concentrations Cj (i = 1 ,2, . . ,n) are "diffusing" and reacting in a homogeneous incompressible fluid with a known velocity profile u(z) independent of Cj so that in the reactor region A, div u is zero. Immersed in the fluid may be a uniformly distributed population of particles which absorb these chemicals and act as local sites for reaction-diffusion phenomena. The particles are sources and sinks for the chemicals Cj in the fluid and these fluid concentrations govern the boundary conditions for the particle or local behaviour. A system of equations is set up as a general model for these complex interactions. The principle limitations of this model are firstly that u(t, z), the velocity profile in A is known and not coupled with the concentrations Cj in any way, and secondly the particles are assumed to be fixed relative to the coordinate system of z in A and sufficiently small so that a representative sample of them can be taken to be in a spatially constant concentration environment in A. The objectives of this thesis are genemlised comparison theorems for these systems which are used to prove uniqueness, existence, stability and other general qualitative features of such models. A number of examples from literature arc examined. Models conforming to the system described in this thesis have applications in biological wastewater treatment, �iochemical manufacture, urea removal by the compact artificial kidney and industrial fermentation processes. Other potential modelling areas concern fertiliser or pollutants diffusing in soil moisture and reacting with soils, oxidation with product formation in waste deposits and industrial ore reduction processes. There are many other industrial and environmental problems with similar interacting macro and micro structures. These include the catalytic cracking and synthesis processes in chemical industries ranging from the making of synthesis gas from coal to oil refining. v 1 General Introduction 1.0 Introduction This chapter introduces the physical problem. In section 1 . 1 , we give some examples of chemical, m icrobiological and biochemical reactors, briefly discussing how and where they may be utilised and giving some details of their dynamical biochemical, m icrobiological and chemical aspects. Many of these reactors have in common macro and micro structures. This is an important theme of this thesis. Our principal motivating example in this study is the fluidised bed biofilm reactor (FBBR). In section l .2, we introduce the plan of this thesis and in section 1 .3 , discuss some of the new contributions presented. In section lA, we discuss some other potential modelling areas and in section 1 .5 , survey some relevant literature. 1.1 The Physical Problem This thesis is concerned with generalised models for systems of reaction-diffusion equations based on the dynamics and structure of biological and chemical reactors. Typical of these reactors are: (a) the tubular reactor, within which homogeneous reactions are often conducted; (b) the packed bed reactor, often used to conduct heterogeneous catalyzed reactions; (c) the stirred vessel, operated batchwise, semibaLchwise, or continuously (CSTR); (d) the fluidised-bed reactor (FBR), and (e) the trickle bed reactor. These are schematized in FIG. 1 . 1 and are described in detail by CARBERRY [45]. co-lL-_---::--_--'�C C(z) (a) C Co-'-------' Co�C C(r.=) ( b) .---�C ( c) (d) (e) FIG. 1.1 Diverse reactor types: (a) tubular (b) packed bed (c) CSTR (d) nuidised bed (e) trickle bcd. 1.1 THE PHYSICAL PROBLEM 2 The problem of heat and mass transfer in packed and fixed bed reactors with irregularly shaped porous catalyst particles was studied extensively by ARIS [ 19]. In fact, much of this work in chemical reactor theory has contributed significantly to the mathematical theory of diffusion, reaction, heat transfer and mass transfer. An analysis of diffusion in biological particles using this chemical reactor theory was first proposed by ATKINSON and DAOUD [25] . where immobilised cell particles were treated as catalytic slabs. Other authors extended this chemical reactor analogy to microbiological and biochemical reactors such as the fluidised bed biofilm reactor (FBBR) (SHIEH el al. [26 1 -266]). Many of the well established procedures for heterogeneous chemical catalytic reactor modelling can be adopted to reactors such as the FBBR (RAO BHAMIDIMARRI et al. [242]). This is because there are analogies between chemical reactions and properties of certain biological systems. One such analogy is rather obvious: we may consider living organisms to be a dynamic structure built of molecules and ions, many of which react and diffuse. However, unlike most chemical reactions, enzymic reactions in microbiological and biochemical reactors are mainly isothermal (CHANG [68]). In general however, many concepts such as the effectiveness factors for general reaction rale forms have analogous definitions for chemical , microbiological and biochemical systems (SHIEH et al. [26 1 - 266]). The effectiveness factor (defined as the rate of reaction divided by the rate which would occur with no resistance to component transfer inside or outside the particles) is an important parameter in reactor designing. It has been useful as a rough estimate of inlraparticle diffusion effects in particles such as porous catalysts, flocs, solid spherical supports and adsorbent particles. The effectiveness factor is also used in lieu of extensive numerical calculations in these particles. There are many other such analogies and it is now acceptable to consider microbiological and biochemical reactors with procedures and concepts developed for heterogeneous chemical catalytic reactor modell ing (ATKINSON [26] , BAILY and OLLIS [30]). Since this thesis is concerned with generalised models for such reactors, we do not specify in great detail the parameters for every special system. However we do go into detail with the nuidised bed biofilm reactor (FBBR) as a motivating example in ordcr to get an understanding of the physical problem. The Fluidised Bed B iofihn Reactor (FBBR) The fluidised bed biofilm reactor (FBBR) is a biochemical processing system with applications to biological wastewater treatment and biochemical manufacture (JERIS et. al. [ 1 34] and ATKINSON [26]). It is a high energy, high efficiency system in which the liquid to be treated is passed upwards through a bed of small particles such as activated carbon granules at velocities sufficient to fIuidise the bed. Each particle of support material (activated carbon or otherwise) provides surface area for biological growth, resulting in a biomass for the whole bed, an order of magnitude greater than conventional dispersed growth systems. This growth is initiated by seeding the bed with microorganisms to form what is known as a biofilm around the support particles which establishes a miniature reaction-diffusion controlled chemical microsystem. The very h igh growth support surface afforded by these bioparticles results in denitrification of volatile solid concentrations as high as 30,000 mg 1-1 and a bed detention time as low as 6 minutes for 99% nitrate removal. It has been demonstrated in numerous pilot studies to be cost effective and has also been investigated at least to pilot scale for all of the basic treatment processes, including carbon oxidation, nitrification and denitrification for a variety of domestic and industrial wastewuters. A photo or a Iluidised bed biorilm reactor (FBBR) is given in FIG. 1 .2. Models for all the reactors (except for the tubular reactor) discussed in this section have a system of reaction-diffusion equations appropriate to a microsystem coupled via boundary conditions to a system modelling a macrosystem composed of convection reaction-dirfusion equations with additional source terms 1.1 THE PHYSICAL PROBLEM 3 accounting for outputs from the particles. These convection reaction-diffusion equations provide the boundary conditions for the microsystem associated with the particles. S uch models for one system or another have appeared in the literature frequently during the last decade (MULCAHY et ai. [ 1 99-202]; LIN [ 170]; LlAPUS and RIPPIN [169]) . They generally assume, as we do here that the fluid velocity distribution is divergence free, fixed and not coupled with the diffusion and chemical or biochemical processes. FIG. 1.2 The Fluidlsed )jed J110film Reactor (FIIIIR) In this thesis, an attempt is made to model such reactors both for the interpretat ion o f performance characteristics and for successful process design. Mathematical models for such reactors are needed for the description of steiluy-state and dynamic behaviour for process design, optimisation and control . While insufficient detail can lead to a model incapable of accurately representing the reactor's response to changes in operating variables, too much detail can lead to a model that may be computationally impractical. From a purely analytical point of v iew, there is no more difficulty in increasing the number of model equations. However this may lead to an impractical model in thatu1ere may be too many parameters to identify from the 1 .2 THE PLAN OF THIS THESIS 4 operating data. The type of model and its level of complexity in representing the physical system, will depend on the use for which the model is being developed. We arc simply presenting a generalised model for such reactors. These models turn out to have interesting and useful structural and mathematical properties. The mass-heat analogy provides a useful basis for transferring mass transport results to heat flow problems. Structurally, the heat transport aspects are mathematically equivalent to another chemical component. Since our generalised models consider an arbitrary number of interacting chemical components, we may assume that one of these components is temperature. The theory developed in this thesis does not therefore exclude heat transfer considerations which are relevant to fluidised bed combustors and to mass transfer in nonisothermal reactors (see ARIS [20]) or even the fluidsed bed gasifier (MA [176]) . Therefore, without loss of generality, we will only consider mass transfer models. For convenience, we call reactors with the macro and micro structures described in this section, "Particle Reactors". 1.2 The Plan of this Thesis In Chapter 2 we set up the coordinate systems and equations representing a generalised model for such a particle reactor. A system of equations is presented as a general model for these complex interactions. The principle limitations of this model are firstly that U(l, z), the velocity profile in i\ is assumed to be known and not coupled with the bulk concentrations Cj in any way, and secondly the particles are fixed relative to the coordinate system of z in i\ and sufficiently smalI so that a representative sample of them can be taken to be in a spatially constant concentration environment in A In Chapter 3, we look at the unsteady state or time dependent problem. Generalised comparison theorems are developed and used to study questions of uniqueness, existence and other qualitative features of our models. We examine the stability of both the steady state and the unsteady state solutions and study links between stability behaviour and uniqueness of steady state solutions. The question of existence of solutions is examined by using some recently developed imbedding techniques (McNABB lIH6J). In Chapter 4, we look at the steady state or time independent problem. Here we study the question of existence of solutions by using the new techniques referred to in Chapter 3. We also study relationships between unsteady state or time dependent solutions and steady state or Lime independent solutions. In Chapter 5, we show that linear models for panicle reactors treated in this thesis are amenable to various algebraic and geometrical factorization transformations which dramatically reduce their dimensionality. Linear systems of convection reaction-diffusion equations for these reactors have a structure which allows a geometric factorization of steady state problems giving a significant reduction in their dimensionality. Moreover, convection dominated linear systems with quasisymmetric reaction terms may be further simplified by matrix transformations which uncouple the differential equations. The boundary conditions are also uncoupled when the diagonal diffusivity matrix D governing diffusion in the particle is a scalar multiple of the corresponding matrix H describing the diffusivity characteristic of the fluid boundary layers around the particles. The dominant transient behaviour of ule systems may be handled by establishing an analogous system of time independent equations for mean action time variables and higher moments. These equations have the same amenable structure. Outputs, time lags and various mean residence and first passage times associated with establishing steady outputs from a concentration free initial state, can be expressed in terms of the steady state solutions and mean action time variables. In Chapter 6, a number of reactor models from literature are examined as examples of the theory developed in this thesis. Since some of these sections are taken from completed published papers without a lot of change, there may be repetition in the model development and problem description. 1.3 NEW CONTRIBUTIONS OF THIS THESIS 5 At the end of each chapter is a section on notes and comments where relevant literature is reviewed and where future mathematical work and ideas are discussed. At the end of this thesis is a references and bibliography section which includes papers which have been referred to in this thesis and papers which are not referred to but are still relevant to the subject maller. 1.3 New Contributions of this Thesis The model structure presented in this thesis is novel in the way systems of reaction-diffusion equations appropriate to the microsystem are coupled via boundary conditions to systems modelling the macrosystem composed of convection reaction-diffusion equations with additional source terms accounting for outputs from the particles. Despite the complexity of this coupling, it is shown that many standard and classic methods for obtaining stability, uniqueness and existence of unsteady state and steady state problems can be extended to this problem. The principal result which makes these extensions possible is a generalised comparison theorem similar in type to those for weakly coupled parabolic and elliptic systems. In addition we develop some new techniques for our problem which can also be applied to elliptic and parabolic systems coupled in other ways. Major results of this thesis are uniqueness, existence and stabil ity theorems for solutions to the unsteady state and steady state problems. It can be shown that such results may be obtained by imbedding the general system which may obey no monotone property into a system of twice the order which does possess a monotone properly. The monotone properties of these imbedded systems suggest the use of monotone iterative methods in obtaining existence of solutions and this in tum suggests new methods for numerical computation of solutions. It can fortunately be shown that stability, uniqueness and existence may be implied in the original system. As a result, our computed solution in the imbedded system also g ives rise to a numerical solution of the original system . This imbedding idea is relatively new and is also useful in generalising many qualitative features Stich as the rclat.ionships between parabolic and elliptic equations to parabolic and elliptic systems of' equations. This idea is even shown to be useful in solving algebraic equations by monotone iteration. We show that l inear systems of convection reaction-diffusion equations for these reactors have a structure which allows a geometric factorization of steady state problems giving a significant reduction in their dimensionality. These equations are also amenable to algebraic uncoupling transformations which reduce the dimensionality of the problem and which simplify the tasks of obtaining analytic and numerical solutions or estimates. The recent concept of mean action times (MeN ABB and WAKE [190]) for scalar equations is generalised to systems of equations and factorization and uncoupling techniques may be also applied to an associated linear system for vectors composed of the mean action time variable for each chemical component. These vector functions give the time lags for the various chemical outputs of the system during its transition from one steady output mode to another and the mean first passage times, mean particle residence times and higher moments associated with tracer pulse inputs of the chemicals. Such results also apply to systems of reaction-diffusion equations where there may be no coupl ing in the boundary conditions and also provides us with ways of uncoupling parabolic and elliptic systems. Our comparison theory is also shown to be useful in developing some techniques for obtaining upper and lower pointwise bounds to solutions. These prove to be favourable compared to results obtained by orthogonal collocation and standard finite difference methods. The bounds provide us with some qualitative features of solutions of such equations and also prove to be excellent as approximate solutions. 1.4 OTHER POTENTIAL MODELLING AREAS 1.4 Other Potential Modelling Areas 6 There are a myriad of applications for such macro micro structure models in different disciplines as diverse as geology and mining, medicine, agriculture, chemical and biochemical industries and environmental technology. We give a brief description and references of some of these that have come to our aLtention. Our first example concerns industrial fermentation processes which may be both aerobic and anaerobic. Such processes involve a general class of chemical changes produced in organic compounds (substrates) through the activity of micro-organisms and include various alcohol fermentations and the production of acetic acid (vinegar), lactic acid, citric acid and gluconic acid, as well as acetone, butanol and glycerol . Microorganisms have the potential to achieve almost any conversion , involving water soluble organic compounds by means of complex sequences of enzyme catalysed reactions. The basic fermenter types are usually discussed using terminology establised for chemical reactor theory, namely: (a) the batch fermenter (BF); (b) the continuous stirred-tank fermenter (CSTF); (c) the tubular fermenter (TF) and (d) the fluidised bed fermenter (FBF). Many biochemical conversions are not achieveable in the absence of microorganisms and continuous fermenters which use suspended organisms suffer from the fact that these organisms can simply be 'washed out'. Continuous stirred-tank fermenters (CSTF) are limit.ed in throughput as a result of this phenomena and tubular fermenters (TF) with suspended tlocs, become an impossible arrangement without a constant resupply of microorganisms at the inlet. An altemativc answer to the last problem is the tluidised bed fermenter (FBF) (ANDREWS and PRZEZDZIECKI [17], ATKINSON [261. PARSIIOTAM el at. [2241) which is a hybrid hetween the stirred tank fermenter and the tubular fermentcr, in which the microbial particles are suspended by the upnowing liquid stream and gravitational forces prevent them from being swept away ( elutriated). The end products of industrial processes involving microorganisms are more microbial mass and various biochemicals, one or several of which may be recovered. The main classes of biochemical products from industrial fermentation processes are antibiotics, steroids, vitamins, enzymes and organic acids (AlBA el at. [2] ) . The microbial mass produced concurrently with the biochemicals is largely a waste product but may be used as an animal feed supplement in view of its protein content (LOEWY and SIEKEVITZ [1 72]) . Occasionally, the production of microbial mass is a major objective, as with baker's yeast and the removal of organic impurities from polluted water. There are other potential modelling areas which are similar in principle to the FBBR and have a similar interacting structures as particle reactors. An example of such a system is the Rotating Cylinder (RC). This is a biological system where a cylinder is covered by layers of microorganisms held in place by extracellular material around a support rotating cylinder. As with the FBBR, ule biological rotating cylinder is also an ingeneous method of removing non-settleable organic contents of wastewater. It is however more ideal on a small scale. The system involves lowering a rotating cylinder into a stream of wastewater which is being pumped through the rotating cylinder bath. The cylinder acts as a medium that provides a large surface area for microbial growth and if it is not fully submerged, it gets wel l aerated. Substrate diffuses through this biofilm and the organic content is converted into growth of these organisms which can be separated more easily. There are also gases, such as C02 being produced by these organisms in aerobic respiration which escapes to the aLrnosphere. As with the FBBR, the cylinder may be temporarily removed and cleaned and the separated biomass wasted as excess sludge. The Rotating Biological Disk Contactor Plant is similar to the rotating cylinder but where slabs are covered by a thin biofilm consisting of layers of microorganisms held in place by extracellular material . This provides more surface area for biological film growth (see FIG. 1.3). Both these reactors involve reaction diffusion systems within the biofilms with boundary conditions given by concentrations in the bulk fluid. 1 .4 OTHER POTENTIAL MODELLING AREAS Drive Motor '\ FIG. 1.3 The Rotating Diological Contactor Plant 7 A medical application concerns modelling urea removal by the compact artificial kidney (LIN (170]) and an example of this system will be seen in Chapter 6. There are perfusion models of chemicals and tracers through various organs such as the liver and muscle tissue. These sometimes involve a hierachy of structures for instance in the muscle tissue model, chemicals in the blood arc transferred from the capillary system by diffusion into the interstitial fluid and then into the muscle cells. Each of these systems introduces a new dimension in the model. For petrochemical industry applications see ARIS [20, 21]. Here the usc of catalytic reactors and the consequcnt availability of many inexpensive chemicals, makes the synthesis of a variety of organic acids and solvents commercially aLLractive. By contrast to the petrochemical industry, we find that studies into aternative fuel sources from agricultural products such as in the production of the solvents acetone, butanol and ethanol (ABE fermentation) in immobilised cell packed bed reactors from whey permeate also involve models with similar interacting macro and micro structures (QURESl-lI [236]) . Other potential modelling areas concern fertiliser or pollutants diffusing in soil moisture and reacting with soils. Interest in the transport of chemicals in soils is motivated by the potential of agricultural and other chemicals (fertilizers, pesticides, industrial wastes) to move from the soil surface through the unsaturated zone toward the groundwater table. Studies of solute transport in soil adsorption columns (v AN GENUCHTEN and PARKER [288]) also result in model equations with interacting macro and micro structures which are coupled in the boundary conditions. Solute transport studies involving layered media are also important for investigating how restricting layers affect rates of solute migration in the soil profile and, more generally, for examining the influence of soil heterogeneity on solute transport. The leaching of solutes in the unsaturated zone may be affected greatly by the presence of soil layers. Soil stratification is a natural phemenon that is common to many soils. Also, artificial barriers (e.g . , clay l iners) arc often used to slow down or prevent the movement of certain chemicals. There has been considerable attention focused on solute transport through homogeneous soils and some work on heterogenous or multiple layered soil profiles which are approximated by a series of homogeneous soil layers (SELIM et a/.[259] and LEIJ et a/.[165]) each having its unique physical and chemical characteristics. The resulLing mathematical models in literature usually involve one dimensional dispersion advection equations involving single chemicals such as a herbicide diffusing in up to three layers 1 .5 NOTES AND COMMENTS 8 (LEU et al.[165]). Boundary conditions are necessary in order to maintain the solute concentration continuity at the boundary between any two soil layers and there is much discussion about the boundary conditions (VAN GENUCHTEN and PARKER [288], LEU et al. [165]) . Usually the boundary condition at the interface of one layer is given by the solution to the dispersion advection equation in the adjacent layer. Such equations are also found in models of fluid flow through multiple porosity, multiple permeability media that do not necessarily have to be layered (LIU [171]). This problem is interesting because it does not involve interacting macro and micro structures found in this thesis but it still involves the coupling of reaction diffusion equations in the boundary conditions. We can apply our theory without difficulty to systems of reaction advection dispersion equations in multilayered soils, multiple porosity and multiple permeability media. These may all include solute adsorption and desorption. There are many industrial, geological and environmental problems concerned with interacting macro and micro structures. These include catalytic cracking and synthesis processes in chemical industries, ore reduction (MCNABB [184, 185]), groundwater and geothennal modelling, the making of synthesis gas from coal (KATO and WEN [136]), the mining of methane gas from coal beds, the oxidation with product formation in waste deposits, combustion theory and various oil refining processes. 1.S Notes and Comments There is considerable literature on the fluidised bed biofilm reactor (FBBR). A history of its development, its design and operating conditions is given by RAO BHAMIDIMARRI [241]. Some other examples of fluidised bed reactors from li terature are given by ANDREWS [16,17], BOSMAN [42], CHUNG and WEN [71], COOPER and ATKINSON [77], DENAC et al. [82], FOSTER [92], HANCHER et al. [113], JERIS and OWENS [134], KORNEGAY and ANDREWS [147], MULCAHY et al. [199-202] and SHIEI-1 et al. [261-266]. There is considerable literature on the effectiveness factor for particles in chemical and bichemical reactors. Some examples are given by ANDREWS [18], ARIS [21], BISCl Iopr [38], Cl-IANG [67], CHURCHILL l72], GoTO l107J, LEE and TSAO l163J, MOO-YOUNG and KOBA YAS I I l [198], ROBERTS ami SATTERFIELD [249], Sl-I lE I I et al. [261-266], STEWART and V ILLADSEN [275J and WADIAK and CARBONELL [300]. It should be noted that such mechanistic models described in this section are not the only models available and that control models that treat such particle reactors as a black box also prove to be very useful (KHANNA and SElNl'ELD [144]). Our results on reaction diffusion systems in this thesis may also be applied to population dynamics (LADDE et al. [153, p. 181], ZI -IENG [311, 312J, PAO [214]) and bacteriology (PAO [218]). 2 Model Development 2.0 Introduction In section 2.1, we shall set up the coordinate system, the spaces and the notation for our generalised particle reactor model that will be required for our model development. These shall be used Iluoughoutlhis thesis. A system of equations together with their initial and boundary conditions is set up as a generalised particle reactor model for the complex interactions in a particle reactor. The various types of equations and their various boundary conditions will be examined and Ille assumptions and limitations of this model will also be discussed. Finally, in section 2.2 we shall discuss some rclevant literature. 2.1 Generalised Particle Reactor Model Development A reactor occupies a fixed region J\ in R3 space and z denotes the coordinates of a point in J\. Fluid flows through J\ with a solenoidal fluid velocity disLribuLioll u(z) which in general may vary with time. The boundary dJ\ of J\ is subdivided into three surfaces dJ\I' dJ\2 and dJ\3 where fluid flows into J\ through dJ\1 and out through dJ\3, while dJ\2 is impervious to fluid. If nj denotes the outward normal to dJ\j and vj=lu·njl, then for all time (2.1.1) The reactive particles are fixed relative to Ille z-coordinate system at all time t and !2 is a representative active region per unit volume occupied by the particles at a point z in J\. In this sense, the region !2 is multiply connected and it represents the shape of this biomass around Ille various particles one would find in a small neighbourhood around z, i.e., it represents the region occupied by N particles of various sizes and shapes, where N is the number of particles in unit volume of fluid. The particles and this region Q are assumed to be small enough so that bulk fluid concentrations are constant spatially about Q. We also assume Q is independent of z (the particles are uniformly mixed and distributed) and the particles do not change position significantly with time. This is not an unrealistic assumption for fluidised beds with a stratified SLructure and is obviously justified for packed bed reactors. This active region is assumed to have an inner boundary d!21 enclosing inert cores and on which dC' d� = 0 on (0, T]Xd.a)XJ\, (2.1.2) where Cj is the concentration per unit volume in [2, of the ith chemical component. These concentrations are 9 2.1 GENERALISED PARTICLE REACTOR MODEL DEVELOPMENT assumed to be governed by a system of weakly coupled reaction-diffusion equations 10 (2.1.3) where x denotes points in Q relative to a suitable coordinate system, V� denotes the Laplacian operator in .Q space, Dj is the appropriate d iffusion coefficient for the ith component and fi(t, x, Cj) are Lipschitz continuous functions in Cj. On the outer boundary ()il2 of il, the concentrations interact with the fluid concentrations Cj(t, z) according to boundary conditions (2.1.4) where � denotes the gradient of Cj on ()Q2 along the outward normal and the positive constants Hj are mass transfer coefficients associated with boundary layer transport. The units for Cj and Cj are assumed to be compatible so that when Cj = Cj on ()il2, there is no flux across the boundary layer. We see that the concentrations Cj depend not only on x and t, but also on z from the functions Cj(t, z) appearing in (2. 1 .4). There may be some chemical components which are immobile in.Q and for these Dj and Hj are zero. Such components can only interact with the fluid concentrations Cj in A through the reaction term/; via interacting mobile ingredients. The boundary conditions (2. 1 .2) and (2. 1 .4) have no relevance for these immobile components. The consideration of the boundary condition (2. 1 .4) includes the Dirichlet type (DJHj == 0), the Neumann type (Dj $0, Hj == 0), and the Robin type (Dj $0, H j $ 0). The boundary conditions (2. 1 .2) and (2. 1 .4) therefore includes various mixed type of boundary conditions. The initial conditions are of the form Cj = Cj,O in .QxA, at t = O. . (2.1.5) In the fluid region A, the concentrations Cj are assumed to satisfy the system of weakly coupled convection reaction-diffusion equations ()Cj _ �V2C +u' Vc +J D· ()Cj = F(t z C) in (0 T]x A ()t I I I a!12 I ()n I " J ' , (2.1.6) where the "diffusion" constant !i)j is assumed to incorporate dispersion effects, V2 is the Laplacian operator in A, involving z-coordinates, the fourth term accounts for the flux of chemical i into il representing the N particles in unit volume of fluid and the lluid reaction term Fj is the source of Cj due to reactions in the fluid itself. The functions Fj like the functions/; above are assumed to be Lipschitz continuous functions in the dependent variables Cj. The surface integral in equation (2. 1 .6) which is a measure of the total flux of Cj through ()il2 into il is only a function of t and z, and can from (2. 1 .4), be expressed in the form I-(S'lC; -I/;J c; , where st i s an, the area of ()il2 (see MIS [2 1 , p.24]). There is no transport of llu id over ()A2 and fluid concentrations Cj at ()A! and ()A3 are subject to boundary conditions as discussed by WEllNER and WILli ELM [306J and DANCKWERTS [79] , respectively. These boundary condi tions arc of the form VICj + !i)/fj = VICj Ion (0, TJXdA1, ani ' �j = 0 on (0, TJXdAa, a = 2, 3 , ana where Cj,) is the inlet lluid concentration. (2.1.7) (2.1.8) 2.2 NOTES AND COMMENTS 1 1 There may be some chemical components where there is no dispersion in A and for these �j arc zero. The boundary condition (2. 1 .8) has no relevance for these components. Furthermore, if u · V Cj = 0 for some of these chemical components , then the boundary conditions (2. 1 .7) has no relevance as well. The consideration of the boundary condition (2. 1 .7) thus includes the Dirichlct type (�/W= 0), the Neumann type (!llj 'FO,VI= 0), and the Robin type (!llj 'FO,Vl 'FO). The boundary conditions (2. 1 .7) and (2. 1 .8) therefore includes various mixed type of boundary conditions. The initial conditions are of the form: Cj = Cj,o in A, at I = O. (2.1.9) We now have a system of reaction-diffusion equations (2. 1 .3) coupled with convection reaction-diffusion equations (2. 1 .6) via the boundary conditions (2. 1 .4) and the source term in (2. 1 .6) accounting for the flux of chemical component j through dQ2. These equations which we label Sn involve the dependent variables Cj (l, x, z) defined in [0, T] x Q x A and Cj (l , z) defined in [0, T] x X and the subscript n denotes the maximum number of chemical components in either the macro or the m icrosystem. Associated with this system are the boundary conditions and initial conditions Bn given by the equations (2. 1 .2) . (2. 1 .5). (2. 1 .7)­ (2. 1 .9). This coupled system Sn. Bn of reaction-diffusion equations is degenerate in (0. l1xf2xA space in the sense that the Laplacian operators of equations (2. 1 .3) and (2. 1 .6) involve only the x in Q and z in A respectively. The steady slate or time independent system will be denoted as Sn . Bn . Our generalised particle reactor equations Sn. Bn form a system of up to 2n weakly coupled equations which may be a combination of ordinary differential equations. first order partial differential equations and parabolic equations. At steady state. these equations may be a combination of algebraic equations. first order partial differential equations and elliptic equations. In many of these cases. the boundary conditions may be irrelevant for the same reasons given above. Let l be the set of integers corresponding to up to n chemical components in .Q and i be the set of integers corresponding to up to n chemical componcnts in 11. If for cxamplc j E / and Dj = /lj = O. thcn we assume that j � i. i.e .• there is no corresponding chemical component in A I f. on the other hand j E / and Dj. Hj > O. we may assume that there is a corresponding chemical component in 11 and the components Cj are coupled to components C j by the boundary condition (2. 1 .4). If j E i. there may not necessarily be a corresponding component in /. unless Dj. lij > 0 for some j E / and for this. the components Cj are also coupled to componenL<; Cj by the boundary condition (2. 1 .4). All the other possibilities are similar. We denote by n(l) and n(i) the number of elements in J and i, respectively and the solutions of the system Sno Bn are denoted by the ordered pair (Cj, Cj) = (CI . C2 . . . . . . Cn(l)' C 10 C2, . . . . , Cn(J» ' The boundaries of dQ and dA are assumed to be of finite curvature so that each point can be found on a closed ball of finite radius contained in f2 or X. This is known as the inner sphere property. 2.2 Notes and Comments The physical basis of the boundary condtions (2. 1 .7) and (2. 1 .8) has been discussed at length in the l iterature (e.g. DANCKWERTS [791 . WEI-INER and WILHELM [306] , PEARSON [23 1 ] , KREFT and ZUBER [ 148] and SMITH [270]) . The d ispersion coefficient �j i n (2. 1 .6) reflects two mechanisms for solute spreading. molecular diffusion and mechanical dispersion. Much work has been published on this dispersion phenomena. in particular to investigate the dispersion tensor. In cyl indrical reactors the dispersion in the direction of flow (longitudinal or axial dispersion) is noticeably different from the dispersion perpendicular to the direction of flow (transverse or radial dispersion). 2.2 NOTES AND COMMENTS 12 Compared to the work published on the longitudinal dispersion coefficient 9)iL, relatively few resulLs have been reported on the transverse dispersion 9)iT. The mechanisms causing transverse or radial dispersion are molecular diffusion and "wandering" from the flow path (S IMPSON [267] , LEIJ and DANE [ 1 64]) and in some instances i t may be considered equal to the coefficient of molecular diffusion (CARBERRY [45]). Values for 9)iT are more difficult to obtain than values for 9)iL, because the concentration distribution needs to be measured in a direction perpendicular to the flow. Studies of longitudinal or axial dispersion are reported by BABCOCK et al. [29], BRITTAN [43J CHUNG and WEN [7 1 ] , RASMUSON and NERETNICKS [243] , RASMUSON [244] , MECKLENBURGI I and HARTLAND [ 1 95 - 197] and in some instances researchers have developed criteria based on the reactor length for conditions where axial dispersion can safely be neglected. There has been considerable interest in the chemical engineering literature on the transport equation (2. 1 .6) neglecting the functional and reaction terms. This equation is commonly known as a convection­ dispersion equation (CDE) or an advection-dispersion equation (ADE). HARLEMAN and RUMER [ 1 1 6] presented an analytical solution for the two dimensional ADE for steady state conditions, assuming that longitudinal dispersion could be neglected. Analytical solutions for the steady state problem, which accounted for longitudinal dispersion were provided by GRANE and GARDNER [ 109] and VERRUIJT [29 1 ] . BEAR [34] discusses methods to obtain analytical solutions for some specific problems and LEIJ and DANE [ 1 64] provide an analytical solution for the two dimensional transport problem which accounts for both longitudinal and transverse dispersion. This solution can also be adapted to three dimensional dispersion. Approximate solutions for the equation (2. 1 .6) for a one-dimensional time independent reactor with arbitrary kinetics is given by GROTCH [ 1 1 2]. An exact solution to the equation (2. 1 .6) for arbitrary shapes and first order kinetics without the additional contribution from the particles is given by VRENTAS and VRENTAS [297] with the fluid velocity field zero and by VRENTAS and VRENTAS [298] with a linear source term with fluid velocity distribution u as a function of z and t and with div u = O. These solutions are given in terms of a Greens's function formulation. There is very lillie literature on the coupled system (2. 1 .3) and (2. 1 .6). This set of equations for one component without reaction and simpler boundary conditions goes back to the work of DEiSLER and WILHELM [8 1 ]. For the case with no dispersion (9) = 0), a classical solution of the coupled system (2. 1 .3) and (2. 1 .6) was given by ROSEN [25 1 ] in terms of an infinite integral. BABCOCK et al. [29] and PELLET!' [232] have presented analytical solutions for this case including dispersion. Approximate solutions have also been given by RASUMSON and NERETNIEKS l243J and improved by RASMUSON l 244 J . These are also given as an infinite integral which has to detennined numerically. This thesis suggests that many of these exact analytical solutions may be used as bounds for our true solution with arbitrary reaction kinetics. However, we will not be demonstrating this in this work. 3 The Unsteady State Problem 3.0 Introduction This chapter considers the unsteady state or time dependent problem. The objectives are generalised comparison theorems. uniqueness. stability and existence theorems for solutions. In section 3 .1. we shall collect some notational conventions and basic definitions and give some general results and relationships of the spaces that are needed in order to obtain the exact result on the solvability of linear parabolic equations. The maximum principle for parabolic equations which will be used throughout this thesis will also be defined. In section 3 .2 we shall show that although our system is nonstandard. it is governed by generalised comparison theorems similar in type to those for weakly coupled parabolic systems. These comparison theorems are a useful tool for proving uniqueness. existence and stability of solutions. In section 3 .3 . we use the strong comparison theorem to show that solutions of system Sn. Bn are uniquely specified by the functions ci.O. Ci•O and Ci• l . In section 3.4. we see that for the purposes of uniqueness. stability and existence theorems. we may assume at the outset that the system Sn. Bn is a quasimonotone system. i .e . Ii and Fi are monotone nondecreasing in Cj and Cj respectively for j :¢ i. This is not a restriction on these theorems, since if this monotone property is not satisfied. then Sn. Bn with general functions!; and Fi can be imbedded in a system S2n. B2n of the same form. It can be shown that solutions of this new system generate solutions of the original system and therefore uniqueness. stability and existence can be implied in the original system. In section 3 .5. we establish some useful sufficient conditions for the global stability of all solutions of the general system Sn. Bn. It is shown that such stability implies the uniqueness of the solutions to the steady state or time independent problem. In section 3.6. we show that solutions of problem Sn. Bn specified by ci,O. Ci•O and Ci• 1 exist. This is done by constructing a sequence of approximate solutions which converges monotonically and uniformly (in appropriate function spaces) to a limit function which is shown to be a solution of the system Sn. Bn . Finally. in section 3.7. we discuss some relevant li terature and future work. 3.1 Definitions, Notation and General Results for Linear Parabolic Equations It is important in the theory of nonlinear differential equations to obtain theorems on a priori estimates and existence of linear differential equations in order to derive estimates for nonlinear differential equations. In this section. we shall collect some notational conventions and basic defintions. 13 3.1 DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR PARABOLIC EQUATIONS 14 We shall also give some general results and relationships of the spaces that are needed in order to obtain the exact result on the solvability of linear parabolic equations. The Maximum Principle for parabolic equations which will be used throughout this thesis will also be defined. 3. 1.1 Definitions and Notation The fol lowing notation will be used throughout this section x = (XI . X2 • . . . . • xm) denotes a point in Rm. T > O. where T denotes a point in R. t E [0. 11 . , is a bounded. open. connected domain in Rm. iY9 denotes the boundary of ,. if denotes the closure of ,. Qr = (0. 11x� is regarded as a subset of Rm+ 1 . rr = (0. 11xiY9. Or= [0. 11xif. TT = [0. T]xa�. u E R . Dxu = (au/ax l • . . . . • au/axm) . Definition 3.1.1. A vector field v(t . x) = (VI (I. x) • . . . . • vm(t. x» is said to be a unit outerward normal (outward normal or outemormal) at (I. x) E rr if (t. x-hv) E Qr for small h > O. The outernormal derivalive is then given by ;"1"(}. vet,){) is � U,, 'jt \/<"do( no(('Il,J +0 IT au = lim u(t. x) - u(t. x - hv) . av h-)O h 3.1.2 General Results and Relationships between Holder, u,q and Sobolev Spaces Spaces The following definitions of H61der. u,q and Sobolev Spaces are adapted from LADYZHENSKA YA [ 1 55 . ppA-9] . HOlder S paces For a positive real number. I. say. let [I] denote the greatest integer not exceeding I. For A � QT. we shall say thatfE CIl2,/[A. R] iff: A � R is continuous. the partial derivatives off. with respect to x. up to order [I] are continuous on A and its [I]th order partial derivatives with respect to x are HOlder continuous on A with exponent [ - [I] . and further the partial derivatives off, with respect to t. up to order [//2] are continuous on A and its [//2] th order partial derivative with respect to 1 is Holder continuous on A with exponent 1/2-[//2] . For 0 < I < 1 and f E CI/2,/[A . R] . we shall use the following notation: where IIfll� = sup If(t .x)1 • (l,x)EA 3.1 DEFINITIONS, NOT A TION AND GENERAL RESULTS FOR LINEAR PARABOLIC EQUATIONS L[A (f) _ If(t,x) - f(t,y)1 I� x I - sup I • (I.X).( I.y)eA IIx - yll IIz-)4I�p HA (f) - If(t,x) - f(t' , x)1 1 1/2 SUp 1/2 • (l.x).(I .x)eA It - 1 ' 1 11-- I'I�p For any I > 0 and f E CIl2•/[A , R), we shall use the folowing notation: [/l IIfll� = L LIID;D;fll� + (I)� , j=0 2r+s=j 1 5 where D: D;f denotes the partial derivative o f fwith respect to x and t o f order s and r, respectively, for all r and S such that 2r+s 0 in QT, then!1J is called parabolic in QT. If 1(t, x)�A.o>O, for a positive number Ao then !1J is called almost strictly parabolic in QT. If I(t, x) $; K, 1(t, x) i (3.1 .3) for some positive number K, then !£ is called strictly uniformly parabolic in QT, that is (3. 1 .3) can be written as 3.1 DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR PARABOLIC EQUATIONS for all � E Rm, (t, X)E QT. 21 Let rJ be a bounded domain in Rm , QT = (0, T]xrJ for T > ° and rT = (0, T]X drJ. Let p , q E C(1+a)/2, l+a[1";T , R] be nonnegative functions and let Vet, x) be the unit outward normal vector field on drJ (which belongs to the class C2+a ) for t E [0, TJ . Consider the nonl inear second order parabolic initial boundary value problem (lRV? for short): where and flu = h ( t , x , u ) i n QT'} !i1u = ¢J( t , x) on TT, u (O , x) = ¢Jo(x) in iff , ¢J E Cel +a)/2, 1 +ar 7;. , R] , ¢Jo E C2+a[� , R] , h E CaJ2,a[[o, T]xij xR, R] , du fiJu = pet, x)u + q(t, x)- . d v Definitioll 3.1 .6 (3.1 .4) (3. 1 .5) (3. 1.6) (3.1 .7) (3.1 .8) We shall say that the compatibility conditions of order k � 0 are ful filled for the IRV? (3 . 1 .4)-(3 . 1 .8) i f �(j) ( . ') ( ') ( ' ') du(J) (x) ( ') L..J . (p }-I (x)u ) (x) + q }-I (x) ) = ¢J ) (x) ;=0 l dv on d' for j = 0, 1 , . . . . , k , where, and ( j) ( ') _ (j) (0 ) _ dju(t , x) 1 u ) - u , x - , , dt} 1=0 ±(�')(p(j-;) (O, x)u(j) (O, x) + q(j-i) (0, x) du ( j ) (O, x» = �jj (p(t , x)u(t , x) + q(t ,x) duCt , x» 1 . ;=0 l dv at dv 1=0 We now consider the linear second order parabolic initial boundary value problem (lRV? for short) flu = h (t , x) in QT, } fiJu = !P(t , x) on r,/" u(O , x) = !Po(x) i n � . (3.1 .9) 3.1 DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR PARABOLIC EQUATIONS 22 Let liS now s ta le the classical ex islence and uniq ueness theorem whose proof can be found in LADYZHENSKAYA [ 1 55, p.320] and FR IEDMAN [94, p. l44 J . Theorem 3.1 .2. Assume that (i) aij, bi, c E Cal2,arITr , RJ, c(t, x) � 0 and!J! is strictly uniformly parabolic in QT; (ii) p, q E C( l Hx)/2, 1 HXI7;. , R"l for p and q nonnegative funct ions and there exists )1 1 > 0 such that p � )1 1 ; (iii) d<9 belongs to class c2+a; (iv) h E ccc/2,a[Qr , R] ; (v) I/J E c(1 +a)/2, l+a[G" R] and cfJo E C2+a[�, R] ; (vi) the IBV? (3 . 1 .9) satisfies the compatibility cOlic/it ion of order 1 ( 1 +a)/2 1 . Then the linear parabolic IBV? (3 . 1 .9) has a unique solution u such that u E Cl+a/2,2+a[Q;. , R] . The following result provides the global a priori Schauder-type estimates for classical solutions of IBVP (3 . 1 .9) . Theorem 3.1.3. Assume that the hypotheses of Theorem 3 . 12 hold. Then for any u E C1 +cx/2 ,2+cx[Qr , R] , there exists a positive constant C which is independent of u such that " " V/' < C'(" (fJ " V/' " un " f/' " ,h ,,'9 U 2+u - JA� U + .:;vU I+u + 'l'0 2+u ) ' Moreover, if u is the classical solution of the IBV? (3 . 1 .9), then (3. 1 . 1 0) reduces to I Iull�:;t $ C(",,"S'" + I I

1 analogous to the Schauder results in the HOlder spaces Cl+cx/2,2+cx[Qr , R) . Let us state the following uniqueness and existence theorem that provides us with generalised (weak) solutions of (3 . 1 .9). Its proof can be found in LADYZHENSKAYA [ 1 55 , p.34 1 ] . Theorem 3.1.4 Assume that (i) aij, bi, c E Cal2,a[Qr , R], c(t, x) � 0 and fl! is strictly uniformly parabolic in Qr; (ii) p, q E C(I+U)/2, I+a rI;· , R] ,for p and q nonnegative functions and there exists )11> 0 such that p � )1 1 ; (iii) d<9 belongs to class C2+a; (iv) h E Lq[�, R] for q > 1 ; (v) I/J E W�I2-1/2q,I-l!q [.Fr , R] and I/Jo E Wi-2Iq [�, R] ; (vi) the IBVP (3 . 1 .9) satisfies the compatibility condition of order [(q-3)/2q] . Then the linear parabolic IBVP (3 . 1 .9) has a unique solution u such that u E W� ,2 [Qr , R) . 3.2 GENERALISED COMPARISON THEOREMS 23 The following theorem provides global a priori Agmon-Douglis-Nirenberg type of estimates for generalised (weak) solutions of the IBVP (3 . 1 .9) . Its proof can be found in LADYZI IENSKA YA [ 1 55, p.342] . Theorem 3.1.5 Assume that the hypotheses of Theorem 3 .1 .4 hold. Then for any u E wd·2 [Qr , RJ , there is a constant C which is independent of u such that lIuI lW1.2 [-Q Rj � C(II9?uIlLq [-Q Rj + lI3Jull - - [- j + l Ij being zero for some i but is also associated with the fact that in the case that Dj is nonzero, the Laplacian for the Cj equations involves only the x dependent variables whereas for the Cj equations it involves only the z dependent variables. The weak coupling is also non standard in that through equation (2. 1 .6) the Cj equations have a functional connection to me Cj variables via J Dj dCj • Despite these features we are aQ2 dn 3.2 GENERALISED COMPARISON THEOREMS 24 able to show in this section that this system is governed by generalised comparison theorems similar in type to those for weakly coupled parabolic systems in McNABB [ 1 82, 1 86] . However, additional smoothness properties such as the inner sphere property is used for comparison theorems and this smoothness hypothesis together with some Lipschitz continuity conditions on Ii and Fj are required for our generalised strong comparison theorem. We are also able to show by a counterexample that only in some cases are there analogous theorems for the corresponding time independent or steady state system. 3.2.1 Some Basic Comparison Theorems We first require some weak and strong comparison theorems for ordinary differential equations, first order partial differential equations and parabolic equations. These weak comparison theorems are similar in that they assume at the outset that a solution is bounded by comparison functions and rules out the existence of a contact point for these functions for all time. There are no restrictions on the nonlinear functions. The strong comparison theorems are similar in that they provide stronger results for a solution bounded by comparison functions and spells out the consequences of the existence of contact points of these comparison functions. There are however restrictions on the nonlinear functions for such strong comparison theorems. Weak and Strong Comparison Theorems for Ordinary Differential Equations We shall firstly look at weak and strong comparison theorems for ordinary di fferential equations. The first two theorems are from McNABB [1 86] and are only included here for the sake of completeness. Theorem 3.2.1 (Weak Comparison Theorem) Suppose that (i) The functions CI and C2 are defined and are continuous in [0, TJ, their first order t derivatives exist and are uniformly bounded and continuous in the region (0, T] ; (ii) (iii) Then Proof dCI dC2 --h(t, cl ) <--h(t, c2 ) on (0, T] . dt dt C I (t) < C2(t) on [0, T ] . Let us suppose that cI � c2 somewhere in [0, T] . Then, since cl - c2 is continuous in [0, T] , and C I (O)­ q(O) < 0, there is a point t* in (0, T] such that CI (t* ) = C2(t* ) and cI < c2 on [0, to ) . But then aCI (t* ) � aC2 (t* ) , and h(t: cl ) = h(t: C2) ' Since this violates (ii i), at t, no such t* exists in [0, T] and at at therefore CI (t) < C2(t) on [0, T] . 0 I f h(t, c) satisfies a Lipschitz condition then a stronger result can be stated. Theorem 3.2.2 (Strong Comparison Theorem) Suppose that (i) The functions CI and C2 are defined and are continuous in [0, TJ . their first order t derivatives exist and are uniformly bounded and continuous in the region (0, T] ; (ii) CI (0) < C2(0); 3.2 GENERALISED COMPARISON THEOREMS (iii) (iv) The function h is Lipschitz continuous in c so that there is a finite constant K > 0 for which Ih(t, cI ) - h(I, c2 )1 � Klcl - C2 1 in rO, T]. Then CJ (t) < C2(t) on [0, T] . Proof Let us suppose that C2(0) - CI(O) = A > 0, and let Then w = CI + A e-2K1 2 dw dCI -2KI - dt - h(t, w) = --KAe - h(t, cI ) - [h(t, w) - h(t, CI )] dt . �1 �� � [-- h(t, cI )] + Klw - cl l-KAe dt dC2 KA -2K -2K � [Tt- h(t, c2)] +Te I - KAe I dC2 < --h(t , c2 )' dt 25 Now w(O) < C2(0) and so by Theorem 3.2.1 (Weak Comparison Theorem), W < C2 on [0, T] and cI < W < c2 on rO, '1'] .0 The following theorem is also a strong comparison theorem Theorem 3.2.3 (Strong Comparison Theorem) Suppose that (i) The functions CI and C2 are defined and are continuous in [0, T] , their first order t derivatives exist and are uniformly bounded and continuous in the region (0, T] ; (ii) (iii) (iv) Then Proof Let c) (0) � C2(0); The function h is Lipschitz continuous in c so that there is a finite constant K > 0 for which Ih(t, cI ) - hCt, c2)1 � Klcl - C2 1 in [0, T] . W = c2 + ;l.e2K1 . Then 3.2 GENERALISED COMPARISON THEOREMS �� - h(t, w) = d; t 2 - h(t , w) + 2KAe2K1 + h(t, c2 ) - h(t, C2 ) � �] - h(t, cI ) + 2KAe2K1 - [h(t, w) - h(t, c2 )] dCI 2KI � -- h(t, cI ) + 2KAe - Klw - c2 1 dt � dc] _ h(t, cI ) + 2K Ae2K1 - KAe2K1 dt � dC] _ h(t, c) ) + KAe2K1 dt dCI < --h(t, cI ) ' dt 26 Now w(o) < c, (0) and so by Theorem 3 .2. 1 (Weak Comparison Theorem), w < c] on [0, T] for all A which implies that c] � C2.0 The following theorem provides a stronger result and spells out the consequences of the existence of contact points of these comparison functions. Theorem 3.2.4 (Strollg Comparison (COil tact) Theorem) Suppose that (i) The functions CI and C2 are defined and are continuous in [0, T] , their first order t derivatives exist and are uniformly bounded and continuous in the region (0, T] ; (i i) (iii) (iv) c] � C2 in [0, '1'1; dCI dC2 . -;;;- - h(t, cI) � dt- h(t, C2 ) on (0, 1 ] ; The function h is Lipschitz continuous in c so that there is a finite constant K > 0 for which Then either C I (t) < C2(t) on [0, T J . or there is a constant To in (0, T] such that C I (I) < C2(t) in (10 ' T] and CI (t) = C2(t) for all t in [0, To ] . Proof Either c ) < C2 in [0, '1'1 or there is some To in [0, TJ s lIch that C I = C2. Let To be the greatest such time. Suppose that CI < C2 at 1; < To, Then Theorem 3 .2,2 (Strong Comparison Theorem) i mplies that Cl < C2 in (T; , T] which is a contradiction and hence the theorem must follow .O Weilk and Strong Comparison Theorems for First Order Partial Ditl'erentilll Equations We now look at weak and strong comparison theorems for first. order partial d i fferential equations. The proofs of these theorems arc extensions of comparison theorems for ord inary d i fferential equations that we 3.2 GENERALISED COMPARISON THEOREMS 27 have examined. We shall g ive such a weak and slrong comparison theorem for first order partial differential equations of the form dC f. dC . Ic = -:;- - £.Jai (t, x)-= h(t, x, c) m (0, T] x D, at i=] dXi (3.2.1) where D is a fin ite domain in Rm, T < 00 and 'has bounded coefficients ai(t, x) Theorem 3.2.5 (Weak Comparison Theorem) Suppose that (i) The functions c] and C2 are defined and are continuous in [0, T] x D, their first order Xi derivatives exist and are continuous in (0, T] x D and their t derivatives exist and are uniformly hounded and continuous in the region (0, nxD; (iii) CI < C2 on (0, T] x aD ; Then c] < C2 in [0, Tl x D . Proof Let us suppose that CI � c2 somewhere in [0, T] x D . Then, since cI - c2 is continuous in [0, T] x 15, and (ii) and (i i i) hold at t = 0 and (0, T] x (JD , respectively, there is a poi nt ( t� x· ) in (0, T] x D such that • • • • • - dCI • • dC2 . . dCI dC2 CI (t, X ) = C2 (t , x ) and cI < c2 on [O, t ) x D. But then -;-(t, x ) �:l(t , x ) , :}=-;- and at at �i uXi h(t: x: cI )= h(t: x: c2) ' Since this violates (iv), at (t� x· ) , no such (t� x· ) exists in [0, T] x D . D I f h satisfies a Lipschitz condition then a slronger result can be stated. Theorem 3.2.6 (Strong Comparison Theorem) Suppose that (i) The functions C I and C2 are defined and are continuous in [0, T] x 15, their first order Xi derivatives exist and are continuous in (0, T] x D , and their t derivatives exist and are uniformly bounded and continuous in the region (0, T] x D ; (iii) C] $; C2 on (0, T] x aD ; Then CI $; C2 in [0, T] x D . Proof Let Then 3.2 GENERALISED COMPARISON THEOREMS w = C2 + Ae2K1 . tCI -h(t, x, w)= leI - h(t, x, w) + 2KAe2K1 + h(t, x, C2) - h(t, x, C2 ) � leI - h(t, x, c\ ) + 2KAe2K1 - [h(t, X, w) - h(t, x, C2 )] � leI - h(t, x, cI ) + 2KAe2K1 - Klw - C2 1 � leI - h(t, X, CI ) + 2KAe2K1 - KAe2K1 � leI - h(t, x, CI ) + KAe2K1 < tCI - h(t, x, cI ) ' 28 Now w(O, x) < C l (O, x) and w < c I on (0, 1'] x dD , so by Theorem 3 .2.5 (Weak Comparison Theorem), for ordinary differential equations, w < C l an [0, T] x D for all A which implies that CI � C2 on [0, T] x D.D The following theorem provides a slronger result and spells out the consequences o f the existence of contact points of these comparison fllnctions. Theorem 3.2. 7 (Strong Comparisoll (Contact) Theorem) Suppose Ihal (i) The functions Cl and C2 are defined and are continuous in [0, T] x D, their first order Xj derivatives exist and are continuous in (0, T] x D and their I derivatives exist and are uniformly bounded and continuous in the region (0, 1'] x D; (ii) CI (t, x) � C2 (t, x) in [0, T] x D ; (iii) leI - h(t, x, cI ) � tC2 - h(t, x, c2 ) in (0, T] x D ; (iv) The function h is Lipschitz continuous in c so that there is a finite constant K > ° for which I h(t, x, cl ) - h(t, x, c2 )1� Klcl - C2 1 in [0, 1'] x D x R . Then either Cl (t, x) < ez(t, x) in [0, T] x D or there is a constant To in (0, T] and a point x· in D such that C I (t, x) < C2(t, x) in (10, T] x D and C I == C2 at those points which lie in [0, 10 ] x D and also lie along the characteristic curve given by dx = a(t,x) , x = x· at To for t in [0, To] . dt Proof Either C l < C2 in [0, 1'] x D or there is a constant To in (0, 1'] and a point x· i n D such that C l = C2 at (To , x·) in (0, T] x D . Let tcl = h(t, x, cl ) + A1 (t, x, Cl ) and tC2 = h(t, x, c2) + A2 (t, x, C2) where A I � A2 3.2 GENERALISED COMPARISON THEOREMS 29 in (0, T] x D . Then along the characteristic curve dx = a(t, x), x = x· at T o , we have dCI = dC2 dt . dCI dt h(t, x, cI ) + A1 (t, x, CI ) and -=h(t, x, c2 ) + A1 (t, x, C2 ) ho ld ing , so tha t --h(t, x, CI ) � dC2 - h(t, x, c2 ) in (0, T]X D , an� hence from (ii) and (iv) and Theorem 3 .2.4, i f CI (To , d�· ) = C2 (To , x· ) dt then cI (t, x) = c2 (t, x) for t in [0, To] , x on the characteristic curve and (t, X)E [0, T] x D . O Weak and Strong Comparison Theorems for Parabol ic Differential Equations We now give weak and strong comparison theorems for quasilinear parabolic equations in one dependent variable of the form aC m a2c m ac . !JX = T - L aj (t, x)-.a-. - Lbj (t, x)-:;-= h(t, x, c) In (0, T]xD, t j.j=1 ax, Xl j=1 aXj (3.2.2) where D is a finite domain in Rm, T < 00 and 9! is a uniformly parabolic operator with bounded coefficients aij (t, x) and bj(t, x) . The boundary aD of D must satisfy the inner sphere property which requires every point on aD to lie on the surface of an open sphere contained in D. The following two theorems are standard. The proofs follow along the lines for comparison theorems already discussed (see FRIEDMAN [93, 94]). Theorem 3.2.8 (Weak Comparisoll Theorem) Suppose that (i) The functions CI and C2 are defined and are continuous in [0, T] x D , their first order Xj derivatives exist and are continuous in (0, T] x D , their second order xi) derivatives exist and are uniformly bounded and continuous in the region (0, 1'1 x D and their t derivatives exist and are uniformly bounded and continuous in the region (0, TJ x D ; (ii) (iii) (iv) (Jel aC2 a(t, x)cI + {J(t , X) Tn < a(t, x)c2 + (J(t, x) an on (0, T] x aD, where aCt, x) � 0, (J(t, x) � 0 on (0, T]xJD and a+{J > 0 at each point. Then CI < c2 in [0, 1'] x D . If, h(t, x, c) satisfies a Lipschitz condition, then a stronger result can be stated . Theorem 3.2.9 (Strong Compariso1l Theorem) Suppose that (i) The functions Cl and C2 are defined and are continuous in [0, T] x D , their first order Xj derivatives exist and are continuous in (0, T] x D , their second order xi) derivatives exist and are uniformly bounded and continuous in the region (0, 1'] x D and their t derivatives exist and are uniformly bounded and continuous in the region (0, T] x D ; (ii) Cl(O, x) $; C2 (0 , x) ; 3.2 GENERALISED COMPARISON THEOREMS 30 (iii) !l!cl - h(t, X, CI ) ::; !l!c2 - h(t, x, c2 ) in (0, T] x D ; dCI dC2 , aCt, X)CI +{3(t, x)-;- ::; aCt , X)C2 +{3(t, x)-on (O, 1 ] x dD, on dn (iv) where a(t, x) � 0, {3(t, x) � 0 on (0, l1xdD and a+{3 > ° at each point; (v) The function II is Lipschitz continuous in c so that there is a fInite constant K > 0 for which Then CI ::; c2 in [0, '1'] x D. The following theorem provides a stronger result and spells out the consequences of the existence of contact points of these comparison functions. Theorem 3.2.1 0 (Strong Comparison (Contact) Theorem) Suppose that (i) The functions C I and C2 are defined and are continuous in [0, T] x D, their first order Xj derivatives exist and are continuous in (0, T] x 75, their second order xij derivatives exist and are uniformly bounded and continuous in the region (0, T] x D and their t derivatives exist and are uniformly bounded and continuous in the region (0, T] x D ; (ii) CI ::; c2 in [0, 1'] x 75; (iii) !l!cl - h(t, x, CI ) ::; !l!c2 - h(t, x, c2 ) in (0, T] x D ; (iv) aCt, x)cI + {3(t , x) ��::; a(t, x)c2 +{3(t, X)�� on (0, T] X dD, where aU, x) � 0, /3U, x) � ° on (0, llxdD and a+/3 > 0 a t each point; (v) The function h is Lipschitz continuous in c so that there is a finite constant K > 0 for which Then either CI < c2 in [0, T] x D, (3.2.3) or there is a constant To in (0, 1'] such that (3.2.4) If {3 > 0 on (0, l1xaD, (3 .2.4) can be replaced by the stronger result CI < c2 in (To , T] x D and ci = c2 in [0, To] x D . (3.2.5) Proof Define functions VI and V2 by (3.2.6) where K is the Lipschitz constant for h, so that 3.2 GENERALISED COMPARISON THEOREMS 31 (3.2.7) and !lvl � !lv2 in (0, T] x D. (3.2.8) Either VI < V2 and hence CI < C2 in (0, 1'] x D or there is a To in (0, 1' ] such that VI < V2 in (10 , 1'] x D and V I = V2 at a point P in 15 at time To. But if P is in D, this implies that V I == V2 and hence C } == C2 in [0 , To ] x D by the strong comparison theorem of Nirenberg for parabolic equations (NIRENBERG [204]). On the other hand, if V I = V2 at P on aD at time To, and f3 > ° on (0, TJxaD, then from (v), �VI � ;2 at P h ' l h . f d " ( O O .) aVI aV2 h h aVI dV2 P I th· n h n w 1 e at t e same tIme, Tom con Itlon I I I , - � - t ere, so t at -= - at . n IS case t e strong an dn an dn comparison theorem of Friedman implies V I == V2 in [0, To ] x D (FRIEDMAN [93]), so that our conclusions (3 .2.3) and (3 .2.5) are established. If f3 can vanish on (0, T] x aD , there is a To such that V I < V2 in (7o , '1'1 x D and VI = V2 at a point P in D at time To. The Nirenberg theorem then establ ishes (3.2.4).0 3.2.2 General ised Weak and Strong Comparison Theorems We have developed a number of comparison theorems for scalar equations. Extensions of these results to systems of equations where CI , C2 and h are taken as n-vectors in previous theorems will not do. A simple counterexample for ordinary differential equations is given by McNABB [ 1 86] and a counterexample for multicomponent diffusion systems is given by WAKE [302]. However, an extension can be obtained by the concurrent use of upper and lower bounds in the formulation of the comparison theorems by redefining h. We therefore look for comparison theorems for the system S,. , 8,. by defining the following functions for where, I(t, X, fk ' c/ ) = inffi(t, x, OJ), /j(1, x, fk ' c/) = supfi(t, x, OJ), L(t, z, �k ' C/) = inf Fj(t, z, 8j), F;(t, z, �k' C/) = sup Fj(t, z, 8), OJ = fj in L, OJ = Cj in /j ' 8j = �j in Ij ' 8j = Cj in F; , (3.2.9) (3.2.10) (3.2. 11) (3.2.12) (3.2.13) (3.2.14) (3.2.15) (3.2.16) i .e., OJ lies in the closed interval bounded by fj and Cj for all } :t- i and 8j lies in the closed interval bounded by r;;,j and Cj for all } :t- i. 3.2 GENERALISED COMPARISON THEOREMS 32 Theorem 3.2 . 1 1 (Generalised Weak Comparison Theorem) Suppose (ci ' Ci ) is a solution of the system Sn ' Bn and the functions £" ci ' L and Ci are defined and satisfy the following continuity properties and inequalities: (i) For components i E I , where Di > 0, £i ' ci and ci are continuous in [0, T] x n x A , their first­ order xj-derivatives exist in (0, T] x !2 x A , their second order xjXk-derivatives and first order t-derivatives exist and are continuous and uniformly bounded in (0, T] x n x A ; (ii) For components i E I , where Di = Hi = 0, fi ' ci and ci are continuous in [0, T] x n x A and their first order t-derivatives exist and are continuous and uniformly bounded in (0, T] x n x A ; (iii) For components i E ], where !lJi > 0, �i , Ci and Ci are continuous in [0, 1'] x A , their first order Z derivatives exist in (0, T] x A, their second order zjZk-derivatives and first order t-derivatives exist and are continuous and uniformly bounded in (0, T] x A ; (iv) For components i E ], where 9>i = 0, U · VCi $0, fi ' C i and Cj are continuous in [0, T] x A , their first order Zj derivatives exist in (0, T] x A and their first order t-derivatives are continuous and uniformly bounded in (0, 1'] x A ; (v) For components i E .I , where �j = 0, It · VCi == 0, �j , Cj and Cj are continuous in r O, 'f ] x A and their first order t-derivatives exist and are continuous and uniformly bounded in (0, T] x A ; (vi) !2j < Cj < Cj in .Q x A and �j < Ci < G in A at t = 0; (vii) dc · dC' de (viii) -=!.. < -' < -' on (0 T]xdn xA' dn dn dn ' I , (ix) (x) de · dc dc· -D· -=!.. - fJ. (C - c · ) < D -' - H · (C - c· ) < D -' - H · (C; -c ) on (0 71xdn2xi\' , an ' -, -, , an " , , an ' " , d�j - 9J.,V 2 C,. + u . VC . + H,. f (C,. - c, ) -F, (t, z, Ck ' C,) at - -, Jil2 - - - - < aCj - 9J.V2C + u . VC + I-I J (C - c ) - F (t z C) dt " " JIl2 ' " , , J (xi) �j. ! < C,.! < G.! , VI= -u 'n l is uniformly bounded and continuous in (0, 71xdA, (3.2.17) (3.2.18) (3.2.19) (3.2.20) (3.2.21) (3.2.22) (xii) 3.2 GENERALISED COMPARISON THEOREMS 33 _ .. _------- --_._-_ .. _----_ .... _. -_._---------- -_._------ --_._-- so that ac. ae. - aCi V&:i + � �-I < VICi + �-I < VI Ci + �� on (O, T] x aAI ; anI anI anI ac . ae. ae -=!..< __ I <� on (O, T] X dAa , a = 2, 3 . dna ana ana (3.2.24) (3.2.25) Then fi < ci < ci in [0, T] x Q x A and (;.i < Ci < Ci in [0, T] x A . Proof We w ill only look at the case when Di, 9Ji > 0 for all i. The proofs for the other cases follow along similar lines of Theorem 3 .2 . 1 (Weak Comparison Theorem) for ordinary differential equations and Theorem 3 .2.5 (Weak Comparison Theorem) for first order partial differential equat.ions. We let ui = ci - fi and vi = ci - ci in [0, T] x Q x A and Vi = Ci -L and Vi = Ci - C; in [0, T] x A . Then if the conclusion is not true then either there exists a point (t� x� z" ) in [0, T] x Q x A and an index i E I such that Uj (t, x, z )� O � v/t, x, z) on [0, t" ] x Q x A , j '# i and ui (t, x, z) < O < vi (t, x, z) on [0, t" ] x Q x A , or there exists a point (I: x" ) in [0, T] x A and an index i E J such that Vj (t, z) � 0 � Vj (t , z) on [0, t" ] x A, j '# i and Vi (t, z) < 0 < Vi(t , z) on rO, t o ) x A . Suppose firstly that there exists such a point (t � x� z" ) in [0, T] x Q x A . B y continuity, we have either ui (t� x: z" ) = O or vi (t: x: z" ) = O . If (I: x: z") E (0, T] x ()QJ x A , then either ()Ui � 0 or aVi � 0, which is impossible by (viii) ()n an If (I: x� z" ) E (0 ,T] x Q x A , then (I� x: z" ) is either a point of minimum of Ui or a point of maximum of Vi and these minimum and maximum values at these points are equal to zero. Hence if 0: x: z* ) E (0, T] x Q x A , we have either Ui (t: • x, or Vi (I: " x , " ) = 0 aUi ( • z , a t , Xj ' ) = 0 aVi ( ' z , a t , X · ) • x, " x , n a2 " ) - 0 LA?�(t' z - , 1 a 2 ' j=1 Xj n a2 " ) - 0 LAL�(t" z - , 1 a 2 ' j=1 Xj • Z·) � O , x , " z· ) � O . x , Suppose that the first alternative holds, then it implies that at (I: X: z" ) , ac . -=.L(t" • � , x , " ) aCi ( ' " ' ) Z = - t x , z , aXj , dXj n �2 "" , 2 (!'....S.. (t' " L.J/I., a 2 ' x , j=1 Xj " ) ' a2 fi ( " " z --a 2 t , x , Xj z" » � O . X � z" ) . Since aUi = �(Ci - c ) � 0 also, it follows that dt dt -I 3.2 GENERALISED COMPARISON THEOREMS dc· dc · 2 2 -' -----=l. - D V c· + D· V c · < 0 dt dt ' x , ' x -'" - . Hence, we have at the point (t: x: z * ) which is a contradiction. 34 * * * au· avo If (t , x , z ) E (0, T] x af22 x A , then either Di -' + Hiui � 0 or Di -' + Hivi � 0 and so there must exist a - � � - point (t: z + ) in [0, T] x A and an index i E J such that Vj (t, z) � O � Vj(t , z) on [0, t* ] x A , J :T. i and Vi (t , z) < O < v; U, z) on [0, t * ) x A . Suppose there exists such a point in [0, T] x A . By continu ity , we have either Vi (t: z * ) = O or v; U: z* ) = O . If (t: z * ) E (0, T] x A , then (r: z * ) is either a point of minimum of Vj or a point of maximum of Vi and these minimum and maximum values at these points are equal to zero. Hence if Ct: z * ) E (0, T] x A , we have either or . + + _ aVi + + _ � , 2 a2Vi + + > V, (t , z ) - 0 , "l (t , Z ) - 0 , LJ /I., 2 (t , z ) _ 0 , aZj j=1 aZj * + aV; * + � , 2 a 2Vj * + \ti (t , Z ) = 0 , --;-:-Ct , Z ) = 0 , LJ /l.j -2-. (t , Z ) � O. az; j=l az; Suppose that the first alternative holds, then it implies that at (t: Z * ) , ac 2 J ae 2 J -='- - 9J.V C + u · VC + fI . (C - c ) � -' - �V C· + u · VC + lI (C· -c · ) . dl , -, -, ' an-z -, -, dl " " an2 " Hence, we have d C . 2 f -;;' - 9lV �j + u · V�j + /-/, ail2 (�j - fj ) -E, (r , z, �k ' C, ) 3C 2 f > -' - 9! V C + u · VC + fI . (C - c · ) - F (I Z C - ) - dt ' J J J ail2 J J J " J ' at the point (t: z+ ) which is a contradiction. The second alternative is treated similarly. 3.2 GENERALISED COMPARISON THEOREMS If (t: z' ) E (0, T] x dA I , then vlVj + � dVj � 0 or VI Vi + 91 dVi � 0, which is impossible by (ix). dnl dnl If (I: z' ) E (0, T] x dAa , a = 2, 3 , then either dVj � 0 or �Vi � 0, which is impossible by (xii). dna ana 35 Thus, we get Uj (t , x, z)< O< Vj (t, x, z) on [0, 1') x Q x A and Vj (t , z) < 0 < Vi(t, z) on [0, 1') x A for all i. We would arrive at the same conclusions if we suppose firstly that there exists such a point (t: z' ) in [0, T) x X and this proves the claim of the theorem.O Ifli and Fj satisfy a Lipschitz condition of the following form, a stronger result can be stated which allow general inequalities in (3.2. 17)-(3.2.25). We shall need the following assumption onli and Fj. (HI) Ii and Fj satisfy a uniform Lipschitz condition in Cj and Cj respectively on any fini te interval, so that there are positive constants kj and Kj such that (3.2.26) It can be shown that our assumptions (HI) of Lipschitz continuity properties for the functions .ti, Fj with respect Lo the variables Cj and Cj imply similar properties for L, j; , Ei and F,. in the variables f.k ' cl ' (k and � . We will first require the following lemma: Lemma 3.2.1 Suppose that we choose the points XI , X2, Y I and Y2 where X I < Y I and X2 < Y2 and suppose that there exists () E [X I , yd . Then we can always find ¢I E [X2, Y2] such that Proof Either 8 E [X2 , Y2] or 8 e [X2, Y2] . I f 8 E [X2 , Y2] , we may lake ¢I = () so thal min I () - ¢II = O. If ¢ () e [X2 , Y2] , then ei ther () < X2 or e > Y2 . If () < X2, then XI <() < X2 and we may take ¢I = X2 so that min Ie - ¢II = e - X2 < IXI-X21 or if e > Y2, then YI > Y2 and we may take ¢I = Yl so that min Ie - ¢II = e -Y2 ¢ ¢ < IYI-Y21 . Hence, we can always find ¢I E [X2, Y2] such that min I e - ¢II � max(lxI - x2 1, IYI - Y2 1} .0 ¢ We are now able to prove the following Lemma 3.2.2 Our assumptions (/-I I) of Lipschitz continuity properties for the functions .ti, Fj with respect to the variables Cj and Cj imply similar properties for L, j; . E and F,. in the variables f-k ' Cl ' kk and Et and so there are positive constants kj and Kj given by (/-I I) such that I L (t , X, fk ' c,)-L (t, X, f: ' ct)1 � kj skUf(lfk -f: I , I CI -ct l ) ,} I A (t, X, fk ' cl )-A (t, x, f:, ct)1 � kj Sf,f(lfk -ft l , I C1 - Cj* I ) , (3.2.27) and Proof 3.2 GENERALISED COMPARISON THEOREMS I£j (t , Z, �k ' 0 )-£, (t , z, �Z , 0* )1 � Kj sup(l�k -�Z I , 1 0 - 0* 1 ) ,} k,1 I�(t , z, �k ' 0 )-�(t , z, �Z , 0* )1 � Kj sup(l�k -�Z I , 1 0 - 0* 1 ) . k,1 We will only prove the first inequality. The other inequalities follow similarly. 36 (3.2.28) Assume wi thout loss of generality that f j < Cj and f j < Cj* so that 1.£ (t , x, fk ' c/ ) - .£ (t, x, fZ , "0* )1 = Ih(t, x, 0j)-h (t , x, OJ )l , where by definition, OJ E [fj , cj l and OJ E [fj , cn for all j. Suppose that I h (t , x, OJ) "? h(t , x, OJ )1 . Then Ih (t , x, 8j ) - h(t , x, OJ)1 � h(t, x, 0j ) - h(t , x, CPj ) ' where CPj is any point in [fj , en . By Lemma 3.2. 1 , we can choose CPj so that min 18j - cpj l � max {Ifj - fj l, lej - e!l} for tPj all j. Then for this choice of CPj, If;(t, x, 8j)-f;(t, x, OJ )1 � kj I Oj - cpj l = kj sup IOj - cpj l J � kj suP(lfj - fj l , I Cj - c! I) , J for all j and the theorem follows .0 This theorem is the basis for the following comparison theorems for solutions of the system Sn ' Bn . Theorem 3.2.12 (Generalised Strong Comparison Theorem) Suppose (Cj , Cj ) is a solution of the system Sn' Bn and the functions fj ' Cj , C and Cj are defined and satisfy the following continuity properties and inequalities (i) For components i E I, where Dj > 0, fj , Cj and Cj are continuous in [0, T) x .f2 x A , their first­ order xrderivatives exist in (0, T) x .f2 x A , their second order xjXk-derivatives and first order t-derivatives exist and are continuous and uniformly bounded in (0, T) x Q x A ; (ii) For components i E I . where Dj = H j = 0, fj ' Cj and Cj are continuous in [0 , T) x Q x A and their first order t-derivatives exist and are continuous and umformly bounded in (0, T) x .f2 x A ; (iii) For components i E J, where 9)j > 0, �j , Cj and Cj are continuous in [0, T) x if, their first order Z derivatives exist in (0, T) x A , their second order zjZk-derivatives and first order t-derivatives exist and are continuous and uniformly bounded in (0, T) x A ; (iv) For components i E J. where q)j = 0, U · VCj $0, �j , C j and Cj are continu.ous in [0, T) x if , their first order Zj derivatives exist in (0, T] x A and their first order t-derivatives are continuous and uniformly bounded in (0, T) x A ; (v) For components i E J, where q)j = 0, U · VCj == 0, �j , Cj and Cj are continuous in [0, T) x .lf and their first order t-derivatives exist and are continuous and uniformly bounded in (0, T) x A ; (vi) f.j � Cj � ej in QxA and �j � c.. � Ci in A at t = 0; (3.2.29) (vii) --------------------------- - -- - - 3.2 GENERALISED COMPARISON THEOREMS as 2 -Tt-DjVx fj -L (t , X, fk ' C, ) ac· 2 < -' - D·V c· - F (t x c · ) - at ' x , Jj , , J < aCj D n 2- -I ( - ) . (0 11 /0., • -Tt- j V xCj - j t, X, fk ' Cl In , . XH"';\, (viii) afj < aCj < aCj (0 71 aQ ;\ . an - an - an on , x 1 X , (ix) (xi) (xii) ac . ac· ac· - _ D-=1..- /1 (C - c · ) < D -' - J1 . (C- - c ) < D -' - II-(C,' - c·) on (0 Tl xaf22xA , an , -, -'" - ' an " " - ' an ' , ' . , vI=-u 'n l is uniformly bounded and COnlinuous in (0, T]xa;\ \ , so lhat (xiii) Ij and Fj satisfy the uniform Lipschitz condition (J-J I ) ' Proof Construct the functions : I.. , 1(/ -I.. - , 1(/ CI.. C ' 1(/ C-I.. C- , 1(/ , 0 0 fj = fj - Iloe • Cj = Cj + Iloe • _j = _j - Iloe , j = j + Iloe • Ilo > , K > . 37 (3.2.30) (3.2.31) (3.2.32) (3.2.33) (3.2.34) (3.2.36) (3.2.37) (3.2.38) The conditions of Theorem 3 .2. 1 1 (Generalised Weak Comparison Theorem) can be shown to be satisfied by these functions. We give the details for the only difficult aspect; to show that assumptions (vii) and (x) can hold for all A. > ° if K is large enough. Our assumptions of Lipschitz continuity properties for the functions/; and Fj with respect to the variables Cj and Cj imply similar properties for 1.-, j; , E, and F; in the variables fk ' Cl ' Ck and 'Et by Lemma 3 .2.2. The inequalities (3 .2.30) and (3 .2.33) in assumptions (vii) and (x) ----------- - - - - 3.2 GENERALISED COMPARISON THEOREMS 38 follow for our functions �t ' c/o. , �t ancl � A. if /( is chosen bigger than !<:.j , is , !S.j ancl 1( . We give the argument for the first inequality of (3.2.30): [ aCj D v2 ; ( ) aft V2 A. f ( A. -A. Ii- j xCj - Jj I , x, Cj ] - [Tt - Dj x fj - _j I , X, fk ' C, )] = e + AxeKl + i./I , X, fk - A.e� c, + A.eKl ) -i/I , x, d, c/ ) � e + A.( K"-kj )e 1(/ > 0, aC' 2 ac . 2 where e = [--:f - DjVxcj - hCt , x, cJ )] - [� - DjVx cj - f(t, x, Ck , c,)l > ° from (3.2.30). al al - -I - (3.2.39) The other inequalities follow in a similar fashion. Hence for all A. > 0, we have from Theorem 3.2. 1 1 , d < ct < CjA. in [0, T] x Q x A and r.t < CjA. < E/ in [0, T] x A , (3.2.40) ancl lllerefore in the limit as A. tencls \.0 zero, (3.2.41) and the result follows. 0 We have seen some generalised weak and strong comparison theorems. While these theorems are useful for solutions of Sn, Bn where initial values at t = ° are given, they provide no information about the steady state solutions for which only boundary value data is given. The following theorem provides a stronger resul t and spells out the consequences of the existence of contact points of these comparison functions. Its corollary provides useful information about the steady state solutions. Theorem 3.2.1 3 (Generalised Strong Comparison (Contact) Theorem) Suppose (Cj ' Cj ) is a solution of the syslem Sn ' Bn and Ihe funclions f; , Cj ' �j and Cj are defined and salisfy the following continuity properties and inequalities: (i) For components i E I , where Dj > 0, f.j ' Cj and Cj are continuous in [0, T] x Q x A , their first­ order xj-derivatives exist in (0, T] x Q x A , their second order xjXk-derivatives and first order I-derivatives exisl and are conlinuous and uniformly bounded in (0, T] x Q x A ; (ii) For components i E I , where Dj = I-I j = 0, f.j ' Cj and Cj are continuous in [0, T] x Q x A and Iheir first order t-derivatives exist and are continuous and uniformly bounded in (0, T] x Q x A ; (iii) For components i E J, where q)j > 0, �j , Cj and Cj are continuous in [0, T] x A , their first order Z derivatives exist in (0, T] x A , their second order zjzk-derivatives and first order t-derivatives exist and are continuous and uniformly bounded in (0, T] x A ; (iy) For components i E J, where 9)j = O, u , VCj �o, �j , C j and Cj are continuous in [0, T] x A , their first order Zj derivalives exist in (0, T] x A and their first order t-derivatives are conlinuous and uniformly bounded in (0, T] x A ; 3.2 GENERALISED COMPARISON THEOREMS 39 ------------ (v) For componeflls i E J, where 9)j = 0, U · VCj == 0, �j , Cj and Cj (lrc cOnlinuous in rO, T] x A and their first order t-derivatives exist and are continuous and uniformly bounded in (0, 1'] x A ; (vi) (vii) (2j � Cj � Cj in [0, T] x Q x A and �j � Cj � � in [0, T] x A ; afj 2 - Tt-DjVxfj -1/t, x, fk ' CI ) ac· 2 < -' - D·V C· - r et x c · ) - at • x . Jj , , J < aCj _ D n2-. _ -f ( - ) ' (0 1'] t>., A . - at , v xc, j t, X, fk ' C, In , X�"A.Il, ( . . . ) afj < aCj < aCj (0 T] an A . Vlll an - an - an on , _ x �"l x.ll, (ix) (x) D· afj - II (C · -c) < D aCj - I/ . (C- - c ) < D rJc. - H (C,' - c· ) on (0 TJxrJ!22XA' • an • -, -, - ' an " " - ' an ' '" • ac . 2 f ---=i.- g)V c · + u · vC · + /-1 (C · - c . ) -P, (t, z, Ck ' C,) at , -, -" iJ!l2 -, -, -, - ac- 2 f � -' - !l)V c- + u ' vc- + /-I (C- - c) - F (t z C - ) at " " iJ!l2 " " , , J aCj 2- - f - - - - . � -- �v Ci + U · VCj + Hj (Cj - cJ- F; (t, z, Ck ' C, ) In (0, T]xA; � � - (xi) C.I :os; Cj•1 :os; �.1 ' (xii) V1=-u 'n 1 is uniformly bounded and continuous in (0, T]xaA I , so that ae < aCj < aCj (0 T) x a A 2 3 a - a - a on , "a' a = • ; na na na (xiii) Ii and Fj satisfy the uniform Lipschitz condition (/-I I ) ' Then (3.2.42) (3.2.43) (3.2.44) (3.2.45) (3.2.46) (3.2.47) (3.2.49) (3.2.50) (I) For components i E I, where Dj • Hj > 0, 9)j>O, either fj < Cj 0. Si)j = 0. u · vej $ 0, e ither fj < Cj < Cj in (0. T) x Q x A and �j < Cj < Cj i n (0, T] x if or there are constants Tj in (0. 1'] such that fj < Cj < Cj j n (7; . T] X .Q x A . �j < Cj < Cj in (7; , T) x X and there is at least one point z· in if such that 3.2 GENERALISED COMPARISON THEOREMS 40 C j = Cj (or Cj = �) i n rO, 7; ] x .Q x A a n d Cj =� (or Cj = �j ) in 1 0, 1; ] x A along the characteristic curve given by dz = u(t, z) , z = z · a t T dor t in [0, 1] or until z reaches the dt boundary dA\ . (III) For components i E I, where Dj , Hj > 0, g)j = 0, U · VCj = 0, either fj < Cj < Cj in (0, T] x ..Q x A and �j < Cj < Cj i n (0, TJ x A or there are constants Tj in (0, T] such that fj < Cj < Cj i n (1'; , T] x ..Q x A and �j < Ci < Cj in (1'; , T] x A and there is at least one point z· in A such that Cj = Cj (or Cj = f;) in [0, 1';] x ..Q x A and Cj = C; (or Cj = �j) in [0, 7;. ] x A for t in [0, 1'; ] at z·. (IV) For components i E /, where Dj = Hj = O, e i t h e r �j < Cj < Cj i n (0, T] x ..Q x A or there are constants Tj in (0, T] such that �j < Cj < Cj in (1i , T] x .Q x A and there is at least one point (x� z* ) in ..Q* x A such that Cj = Cj (or Cj = fj) in [0, 1'; J x ..Q* x A for t in [0, 1'; ] at (x� z*) , where .Q * is some simply connected part of..Q containing x* . (V) For components i E i, where Dj = Hj = 0, g)j > 0, either (;2j < Ci < Cj in (0, T] x A or there are constants Tj in (0, 1'] such that �j < Ci < Cj in (1'; , T] x A and Cj = C; (or Cj = (;2j ) in [0, 1'; ] x A. (VI) For components i E .1 , where Dj = Hj = 0, g)j = 0, U · VCj "$ 0 , either �j < Ci < Cj in (0, T] x A, or there are constants 1i in (0, T] such that �j < Ci < Cj in (1'; , T] x A and there is at least one point z· in A such that Cj =�. (or Cj = (;2j ) in [0, 7; ] x A along the characteristic curve given by dz = u(t, z) , z = z· at T;/or t in [0, 1';] or until z reaches the boundary dA! . dt (VII) For components i E i, where Dj = Hj = 0, g)j = 0, U · VCj =0 , either (;2j < Ci < Cj in (0, T] x A or there are constants Tj in (0, T] such that (;2j < Cj < Cj in (1'; , TJ x A and at least one point z· in if such that Cj = C; (or Cj = �j ) in [0, 7; J x if for t in [0, 7; ] at z* . Proof Let us define (Mt, x, Uj ) = /; (t , x, cj ) where ci = Uj and cj = Cj for j 1= i , and Then from (vi) and (ix), we have, D dCj LJ D dCj '·1 j, we have, (3.2.51 ) (3.2.52) (3.2.53) (3.2.54) (3.2.55) 3.2 GENERALISED COMPARISON THEOREMS 41 The inequalities governing the functions fj ' Cj , Cj , �j ' Cj and C; are now all uncoupled and our conclusion is a consequence of Theorem 3 .2.4 (Strong Comparison (Contact) Theorem) for ordinary differential equations, Theorem 3.2.7 (Strong Comparison (Contact) Theorem) for first order partial differential equations and Theorem 3.2. 1 0 (Strong Comparison (Contact) Theorem) for parabolic equations. (I) For components i E I, where Dj , Hj > 0, 9)j>O, either fj < Cj < Cj in (0, T] x £2 x A and {2j < Cj < Cj in (0, T] x A , or there are constants Tj in (0, T] such that fj < Cj < Cj in (� , T] x £2 x A , �j < Cj < Cj in - * * * * - -(�, T] x A , cj = cj (= f;) at a point (� , x , Z ) , where (x , Z ) E £2 x A and Cj = Cj (= C) at a point * -(�, Z ) where Z· E A . Suppose that cj = Cj at a point (� , x *, Z * ) . Theorem 3.2. 1 0 then implies cj == cj in (0, � ] x £2* x A , where n· is some simply connected part of £2 at (1; , Z * ) containing x· . Condition (ix) shows Cj = C; at (7; , Z * ) and hence Cj == C; in [0, 1; ] x A. This same resul t is obtained from the alternative assumption that Cj =C; at a point (1; , z*) . Condition (x) now impl ies cj = e; on an x A at l=1'j and hence cj == cj in [0, �] x n x A and Cj == C; in [0, T; ] x X. (II) For components i E I, where Dj, I-Ij > 0 , 9)j = 0 , u · VCj $0, either fj < Cj < Cj in (0, T ] x £2 x A and {2j < Ci < Cj in (0, 1'] x A , or there are constants 1'j in (0, 1'] such that fj < Cj < Cj in (T; , T] x £2 x A , !'2j < Cj < Cj in (1; , T] x A, Cj = Cj (= fj ) at a point 0; , x*, z* ) , where (x; z* ) E £2 x A and Cj = C; (= !'2;) * -at a point (T; , z ) where z· E A . Suppose that cj = Cj at a point (� , x *, z * ) . Theorem 3.2. 1 0 then implies cj == cj in (0, 1; ] x £2* x A , where £2. is some simply connected part of £2 at CT; , z* ) containing x·. Condition (ix) shows Cj = C; at (T; , z *) and hence Cj == 1:; (or Cj == !'2j ) in [0, 7; ] x A along the characteristic curve given by dz = U(I, z) , z = z · at Tj for 1 in [0 , T; ] or until z reaches the boundary (JA t . This same result is obtaing� from the alternative assumption that Cj = C; at a point (1i , z *) . Condition (x) now implies cj = cj on a£2 x A at I=Tj and hence cj == cj in [0, � ] x n x A and Cj == C; in [0, � ] x A along the characteristic curve given by dz = U(I , z) , Z = z· at 1'j for I in [0, 1; ] or until z reaches the boundary (JAt . dl (III) For components i E I, where Dj , Hj > 0, 9)j = 0, U · VCj == 0 , either fj < Cj < Cj in (0, T] x £2 x A and !'2j < Ci < Cj in (0, T] x A , or there are constants Tj in (0, T] such that fj < Cj < C, in (T; , T] x £2 x A , !'2j < C; < C j in (T; , T] x If, Cj = cj (= fj) at a point (T; , x *, z * ) , where (x·, z· ) E £2 x A and Cj = 1:; (=!'2j) * -at a point (T;, z ) where z· E A . Suppose that cj = cj at a point (T; , x *, z * ) . Theorem 3.2. 1 0 then impl ies cj == cj in (0, 1i ] x £2* x A , where £2. is some simply connected part of £2 at (�, z * ) containing x· . Condition (ix) shows Cj = C; at (T;, z *) and hence Cj == C; in [0, � ] x A at z*. This same result is obtained from the alternative assumption that Cj = 1:; at a point (T;, z * ) . Condition (x) now impl ies cj = C. on an x A at I=Tj and hence cj == cj in [0, T; ] x £2 x A and Cj == C; in [0, T; ] x A for 1 in [0, 1i ] at z* in A . (IV) For components i E I, where Dj = I-/j = 0, either fj < Cj < Cj in (0, T] x £2 x A , or there are constants Tj in (0, T] such that fj < Cj < Cj in (�, T] x n x A and cj = e; (= fJ at a point (�, x *, Z* ) , where (x� Z*)E £2 x A . Suppose that cj = cj at a point 0; , x *, z* ) . Theorem 3.2.4 then impl ies cj == cj in (0, T; ] x £2* x A , at (x; z* ) , where n* is some simply connected part of £2 at (1; , z*) containing x*. 3.2 GENERALISED COMPARISON THEOREMS 42 (V) For components i E J, where Di = Hi = 0, !1Ji > 0, ei ther �j < Ci < Cj in (0, T] x A , or there are constants Ti in (0, T] such that �j < C. < Ci in [0, 1; ] x A and Cj = C, (= �J at a point (1'; , z*) where z· E i\ . Suppose that Cj = C, (= �J at a point (1';, z* ) . Theorem 3.2 . 1 0 then implies C; = Ci in [0, 1';] x A . (VI) For components i E J, where Di = Hi = O, !1Ji = O, u ,VCi $O, either �i < Ci < Ci in (0, T] x A , or there are constants Ti in (0, T] such that �j < C; < Cj in (1';, 1'] x A and Ci = C, (= �) at a point (1'; , z *) where z· E i\ . Suppose that Ci = c, (= C ) at a point (1'; , z*) . Theorem 3 .2.7 then impl ies Cj = c, (or Cj = �j) in ro, 'Ii 1 x A along Ihe dlaraClcristic curve given by dz = u(t , z) , Z = z· at 'J'i for ( in r o, 'Ii 1 or until z reaches dt the boundary oi\) . (VII) For components i E J , where Dj = Hj = 0, !1Jj = 0, U · VCj=O, either �i < Ci < Cj i n (0, T ] x A, or there are constants Tj in (0, T] such that �i < C; < Ci in (1';, T] x i\ and Ci = C, (= �j) at a point (1';, z*) where z· E if . Suppose that Ci = C. (= �j ) at a point (1'; , z*) . Theorem 3 .2 .4 then implies Cj = Ci (or C i = �i) in [0, 1';] x A for I in [0, 'Ii ] at z* .O An immediate corallary that i s independent of time I i s the fol lowing where we assume that the functionsJi and Fj are independent of I, so that L, .� E... and F; are independent of I. Corollary 3.2.1 Suppose (ci ' Cj ) is a sleady slale SolUlion of Ihe system S, I' Bn and the functions fi ' Gi ' �j and Cj are defined and satisfy the following continuity properties and inequalilies: (i) For components i E I, where Di > 0, fj ' Cj and C; are continuous in Q x i\ , (heir first-order Xj­ derivatives exisl in Q x i\ and their second order xjXlcderivatives exist and are continuous and uniformly bounded in Q x i\ ; (ii) For components i E I, where Di = Hj = 0, fj ' Cj and Gi are continuous in Q x i\ ; (iii) For components i E J, where !jj > 0, �j , C i and Cj are continuous in i\ , their first order z derivatives exist in if and their second order zjZk-derivatives are continuous and are uniformly bounded in i\; (iv) For components i E J, where 9Jj = 0, u · VCj $ 0 , �j , Cj and Cj are continuous in A and their first order Zj derivatives exist in i\ and are uniformly bounded in A; (v) For components i E J, where 9Jj = 0 , u , VCj = 0 , �j , Cj and Cj are continuous in if; (vi) (vii) (viii) -DjV;fj -.L(x, fk ' G, ) � -DiV;Ci -!;(x, cj) �-D,V;Gi -!j (x, fk ' G, ) in Qxi\; Of.j < OCj < dCj ::)n A . dn - dn - Tn on O�"lXJl, (3.2.56) (3.2.57) (3.2.58) (ix) (xii) 3.2 GENERALISED COMPARISON THEOREMS D (}fj - H(C . - c . ) < D dCj - l/. (C- -c· ) < D· dCj -H(C ' - c ) on {}Q2xA-1 dn 1 -I -I - 1 dn 1 1 1 - 1 dn 1 1 1 , vI=-u 'nl is uniformly bounded and continuous in dAI , so that 43 (3.2.59) (3.2.60) (3.2.61 ) (3.2.62) (3.2.63) (3.2.64) (xiii) fj and Fj satisfy the uniform Lipschitz condition (H I ) . Then (I) For components i E I, where Dj , Ilj > 0, g)j > 0, either fj < Cj < Cj in {J x A and Qj < C < Cj in if or c j == Cj (or Cj == fj) in n x A and Cj == � (or Cj == Qj ) in if. (II) For components i E I, where Dj , Hj > 0, g)j = 0, U · VCj $ 0, e ither fj < Cj < Cj in n x A and �j < Cj < Cj in if, or Cj == Cj (or Cj == f) in Q x A and there is at least one point z .. in if such ' that Cj == � (or Cj == C) in if along the characteristic curve given by � = u(z) , z = z* at Z l for _ dZI u�(z) Z l in Al until z reaches the boundary JAI (Here U I is chosen without loss OJ generality to be the first component of u(z) that is nonzero, Z l corresponds to this component and A == A I U An-I where Al is the interval [a, b] with a, b E R) . (III) For components i E /, where Dj, H j > 0, g)j = 0, u · VCj== 0, either fj < Cj < Cj in n x A and �j < Cj < Cj in If or there is at least one point z* in If such that Cj == Cj (or C1 == f.) in Q x A and Cj == � (or Cj == �j ) in if at z*. (IV) For components i E I, where Dj = Hj = 0, either fj < Cj < Cj in Q x A or there is at least one point z .. in If such that Cj == Cj (or Cj == f) in n ' x A at the point (x', z' ) , where Q' is some simply connected part of n at z' containing x· . 3.2 GENERALISED COMPARISON THEOREMS 44 (V) For components i E J, where Dj = IIj = 0, !lJj > 0, either �j < Cj < Cj in .If or Cj == C; (or Cj == �j ) in .If. (VI) For components i E J, where Dj = Hj = 0, !lJj = 0, U · VCj $0, e ither �j < C; < Cj in A or there is al leasl one point z· in .If such that Cj == C; (or Cj == �j ) along the characteristic curve given by dz u(z) . . - . -=--, z = z at z l for Z I In AI unlll Z reaches Ihe boundary cHI . dz] UI (z) (VIn For components i E J, where Dj = Hj = O, !lJj = 0, u ·VCj==O , e ither �j < Cj < Cj in A or there is at least one point z· in .lf such that Cj ==C; (or Cj == �j ) in .If at z* . Remark 3.2.1 Consider the system where Dj , !lJj > 0 for all i. From conditions (vii) and (x) of Theorem 3.2. 1 3 (General ised S trong Comparison (Contact) Theorem) , we must also have /;(t, x, c) =J; (t , X , fk ' Ct ) (= 1/t, x, fk ' cJ )) in [0, l; J x .Q x A and F;(t, z, Cj ) = �(t , z, 0. , CJ ) (= f.; (t, z, 0. , Ct» in [0, 1; ) x A if.f; and Fj are strictly monotone increasing in Cj and Cj, respectively. These imply Cj coincides with one of the bounds Cj or fj and hence Tj =Tj or else ]; is independent of Cj or fj and in this range the inequalities for Cj (f) become uncoupled from the Cj , fj system and Tj and Tj may be unrelated . There are similar consequences for F; and the C;, Q system. From conditions (vii) and (x) of Corollary 3.2. 1 , we see that similar consequences also hold for the time independent case. Our next comparison theorem for solutions of Sn, Bn shows the consequences of Theorem 3 .2. 1 3 if some of the inequalities are strict. Let us consider the case where strict inequalities are required of the initial conditions and the boundary condition at JA 1 and therefore, the severe constraints that (vi) in Theorem 3 .2. 1 3 hold at the outset and (xi) hold at the boundary JA I are relinquished. Similar theorems hold i f strict inequalities are required of the differential inequalities. Theorem 3.2.14 Assume that our assumptions in Theorem 3.2 . 13 all hold with the exception of (vi) which is replaced by the following (vi ') fj < Cj < Cj in .QxA and �j < Cj < C; in A at t = 0, (3.2.65) and for components iE J, where !lJj = 0, U · VCj $0, (xi) is replaced by the following (xi ') (3.2.66) Then the inequalities in (3 .2.65) holdfor all t in [0, T) . Proof If the inequalities (3.2.65) are violated in [0, T] , then there is a first time I· when the strict inequality is violated. At such a t* there are points in A where, at a point in .Q x A , one, some or all of the fol lowing happen: (3.2.67) for some value or values of i. 3.2 GENERALISED COMPARISON THEOREMS 45 Suppose this happens at (I ; x; z* ) . Then from Theorem 3.2. 1 3 this impl ies that fi or ci == ci in [0, t* ] x Q x J\ at (x; z* ) and hence this same equality is satisfied at (0, x; z* ) . If we suppose that this happens at (t; z* ) then Theorem 3 .2. 1 3 implies that �j or C; == Cj in [0, t * ] x if at z* and hence this same equality is satisfied at (0, z* ) or in the case oF components i E J, where q,j = 0, u , '\lCj $ 0, this equality may be satisfied at dJ\\ . This is contrary to assumptions, hence the strict inequality (3.2.65) must hold for all t in [0, T] .O It i s interesting to note that theorems analagous to theorems 3 .2. 1 1 (General ised Weak Comparison Theorem) and 3.2. 1 2 (General ised Strong Comparison Theorem) do not hold in general in the case of the corresponding steady slate or time independent problem Sn ' En ' For example, consider the problem ,:Pc --2 = 8c+ 1 for ° < x < 1 , 0 < z < 1 , ax dC ax = 0 at x = 0, 0 < z < 1 , ac j-;" + c = C at x = 1 , 0 < z < 1 , d2C dC ac l . - -2- + - + - = O m O < z < l , dz dz ax x=l ac C + - = 1 at z = 1 , dz ac a; = 0 at z = O. The functions f. = (4x4+3)z, e = 8x2z, � = z2 and E = z2 + z satisfy the following inequalities: d2C d2C [--::cT-(8e + 1) ]-[---:cf-(8f+ 1 )] = [- 1 6z-(8·8x2z+ 1 )]-[ -48x2z-(8( 4x4+ 3)z+ 1 )] dX dx = [-1 6z-64x2z- 1 ]-[-48x2z-32x4z-24z- 1 )] = (32xL1 6x2+8)z = [2(4xL1 )2+6]z > 0 in 0 < x < 1 , 0 < z < 1 , dC dc :l = � = 0 � 0 at x = 0, 0 < z < 1 , oX dx de - _ de - -[ dx -(C -c)]-[ d �-(� -f}) = [ 1 6z-(C -8z)]-[ 1 6z-(� -7z)] = � -C +z = 0 � 0 at x = 1 , 0 < z < 1 , [_ d 2E + it + dc l ] _ [_ d2e;. + de;. + af l ] = [-2 + (2z + 1) + 1 6z] - [-2+ 2z + 16z] dz2 dz dx x=1 dz2 dz ax x=1 = 1 � 0 in 0 < z < 1 , - aE dC [C + -] - [C + -=] = [(z2 + z) + (2z + 1)] - [z2 + 2z] = z + l � O at z = l , az - az dE dC - = 1 , -= = 0 at z = O. dz dz Thus , 3.3 UNIQUENESS OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM d2C d2C [--a 2 - (8c + I) ) > [-2 - (8f + 1 )] for 0 < x < 1 , 0 < Z < I , x dX de dC - > -= at x = 0 0 < Z < 1 dX - dX ' , de - _ dC [ dX - (C - c )] � [ d�- (� - f)] at x = I , O < z < 1 , [_ d2C + dC + de l ] � [_ d2f + d� + df l ] for 0 < z < I , dz2 dz dX x=l dz dz dX x=1 dC dC - � --= at z = 0, dZ dZ [C + dC] � [� + d,� ] at z = l . (Jz (JZ 46 If theorems analogous to Theorems 3 .2. 1 2 (Generalised S trong Comparison Theorem) held, we would also expect that at least that f � c for all 0 � x � 1 , 0 < Z < 1 and � � E for 0 < Z < 1 . Clearly , from the definition of � and E, we have � � E for all z. However, when x = t, £(t) = (4(t)4 +3)z = 3tz , c(t) = 8(t)2 Z = 2z and 3tz 4. 2z , so theorems analogous to Theorems 3.2. 1 2 do not hold in this case. Remark 3.2.2 Equations Sn ' Bn have been chosen with bioreactor applications in mind , but the theory can be readily generalised in a number of ways. Our proofs are still valid for D/V;cj replaced by V x . (Dj (x, Cj )V xCj ) and q)jV2e; replaced by V · (� (z, Cj )VCj ) , provided that we have uniform elliptici ty conditions for these more general equations. Furthermore, the mass transfer coefficients I/j could be functions of x and I, provided that these functions are still positive and satisfy appropriate continuity properties, and a wider class of coupling functions is pennissible, since.fi and Fj may be permiLLed to depend on VCj and VCj , respectively. In section 3.3 we discuss the uniqueness of solutions of the system Sn ' Bn . 3.3 Uniqueness of Solutions to the Unsteady State Problem The numerical analyst needs a knowledge of classical theory in order to decide whether a problem has a solution and whether it is a unique solution or not. The experimentalists who try to val idate mathematical models also need to know which solution they are comparing their experimental data against if there is more than one solution. We use Theorem 3 .2. 1 2 (Generalised Strong Comparison Theorem) to show that solutions of system Sn ' Bn are uniquely specified by the functions Cj,Q, Cj,Q and Cj, l ' Theorem 3.3.1 (Generalised Uniqueness Theorem) Suppose (Cj, Cj) is a solUlion of the system Sn ' Bn which satisfies the following continuity properties (i) For components i E I, where Dj, Hj > 0, Cj are continuous in [0, T] x Q x J\ , their first-order Xj­ derivatives exist in (0, T] x Q x A , their second order xjxk-derivalives and firs 1 order 1- derivatives exist and are continuous and uniformly bounded in (0, T] x Q x J\ ; ------------------------------------------ ----- - - 3.4 IMBEDDING RESULTS 47 (ii) For components i E I , where Dj = IIj = 0, Cj are continuous in 1 0 , '1'1 x !2 x A and their first order t-derivatives exist and are continuous and uniformly bounded in (0, T] x !2 x A ; (iii) For components i E J, where !lJj > 0, C I are continuous in [0, T] x A , their first order Z derivatives exist in (0, T] x A , their second order zjZk-derivatives and first order t-derivatives exist and are continuous and uniformly bounded in (0, T] x A ; (iv) For components i E J, where !lJj = 0, U · VCj 'F 0, Cj are continuous in [0, T] x A , their first order Zj derivatives exist in (0, T] x A and their first order t-derivatives are continuous and uniformly bounded in (0, T] x A ; (v) For components i E J, where !lJj =0, U · VCj == 0, Cj are continuous in [0, T] x A and their first order t-derivatives exist and are continuous and uniformly bounded in (0, T] x A ; (vi) fj and Fj satisfy the uniform Lipschitz condition (/1 1 ) . Then there can be a t most one solution to the system S, I' Bn . Proof Theorem 3 .2. 1 2 (Generalised Strong Comparison Theorem) implies uniqueness of the initial value problem Sn' Bn , since if (ciI ' Cj l) and (Cj2' Cjz) are two solutions coinciding at t = 0, and at JAJ , then (3.3. 1 ) and therefore cil coincides with Cj2 and Cil with Cj2 for I > O. 0 Remark 3.3.1 It should be poimed out that although the uniqueness conclusion for the system Sn' 8n for given initial conditions holds for all finite T, it has l i llie relevance to questions concerning the uniqueness of the steady­ state problem Sn ' Bn . There may be many steady state solutions of the system Sn ' Bn satisfying all but the initial conditions of section 3 .2 but we see from Theorem 3 .2. 1 2, that each must arise from d ifferem initial conditions. In section 3 .4 we shall present some imbedding results for the system Sn, Bn . 3.4 Imbedding Results In this section, we see that for the purposes of uniqueness, stability and existence theorems, we may assume at the outset that the system Sn, Bn is a quasimonotone system, i .e. Ii and Fj are monotone nondecreasing in Cj and Cj respectively for j � i. This is not a restriction on these theorems of this chapter since if this monotone property is not satisfied, then the system Sn, Bn with general functions Ii and Fj can be imbedded in a system S2n , 82n of the same form where h(t, x, Cj) is replaced by ]; (t , x, fl< ' cl ) for the first n(1) dependent variables Cj and by fj (I , x, f" , cl ) for the next n(1) dependent variables (;'j. Also, Fi(t , z, Cj) is replaced by F;(t, z , h:/c , Ct) for the first n(J) dependent variables � and by E.jU, z, h:/c , Ct) for the next n(l) dependent variables C; . I t can be shown that solutions of this new system generate solutions of the original system and thererore uniqueness, sl4lbility and ex istence can be impl ied in the original system. 3.4 IMBEDDING RESULTS 48 We consider the new system S2n, B2n of up to twice the order satisfied by fj ' ej ' �j and C; in Ule following equations: dc · de· d � =0 , d � =0 on (0, TjxdDlxA, dc · de· -DI d� = Hj (�j - f.;) , Dj d� = IIj (C; -e;) on (0, TJxdD2xA, d�j _ 9>,V2�j + U · vC· + IIifao2 (�i - fi ) =[i (l, z, �k ' (;, ) in (0, TlxA, L(O, x, z) = Cj,O , [j (O, x, z) = Cj,O in iliA, �j (O, z) = Cj,o , C;(O, z) = Cj,o in A, where L. l; E.i and F;are defined in (3.2.7)-(3 .2. 1 4) . Note that the functions [ J , -f) and ( F; , -E.d obey a mixed quasimonotone properly (mqmp) in ilie sense of LADDE et al. [ 153 , p. 16 1 ] . i .e, the functions j; and -f are monotone nondccreasing in el and -I monotone nonincreasing in fk for all i � k. I and the functions F; and -f.; are monotone nondecreasing in CI and monotone nonincreasing in �k for all i � k. I . If we therefore slightly modify the system S2n, B2n as suggested by McNABB [ 1 86] , by introducing new variables Vj =Cj , v n(l)+ j = -fj for i= 1 , . . ,n(/) and Vi = C; , V n(J)+j = -C for i= 1 , . . ,n(J) and if we set f;* =7j • fn*(l)+j = -L for i= l , .. ,n(f) and 1';* = F; , Fn(J)+j = -f.; for i= l • . . • n(.l) then we obtain a new system S�n ' B�n for which t* and F;* are nondecreasing functions of Vj and Vj• respectively , for all j ;t: i. It can be shown by Lemma 3 .2.2, that these new functions have the Lipschitz properties that were imposed on the original functionsfi and Fj• Every solution (Ci , C;) of Sn, Bn generates a solution Vi = Cj, vn(l)+j = -Cj and Vj = Cj, Vn(J)+j = -Cj of Ihe new system S�n ' Bin with the special property that for i � n(f) , Vj + Vn(l )+j == 0 in [0, T] x D x A and for i � n(J), Vi + Vn(J)+j == 0 in [0, T] x A . Conversely , any solution (Vj, V;) of the new system Sin ' Bin with the special property that for i � n(f), Vj + vn( l)+j == 0 in [0. 1'1 x .f2 x A at t = 0 and for i � n (J) . Vi + Vn(J)+i == 0 in X at 1 = 0 and Vi,I + Vn(J)+j, 1 == 0 on (0, 1'lxdA I . is shown in the fol lowing theorem to give rise to a solution of ilie system Sn, Bn. Theorem 3.4.1. The general system Sn, Bnfor which fi and Fj are Lipschitz continuous in Cj and Cj respectively. may be imbedded in a system Sin ' Bin of twice the order which is coupled by monotone functions fi' and 1';* of 3.4 IMBEDDING RESULTS 49 the new dependent variables Vj and Vj. Moreover, all the solutions (Cj, C j) of the system Sn, Bn are solutions of the new system, where Vj = Cj, Vn( l )+j= -Cj for i= I , .. ,n(1) and Vj = Cj, Vn(J)+j= -Cj for i= l , . . ,n(.l) and all the solutions (Vj, Vj) of Sin ' Bin for which Wj = Vj + Vn(l)+j= 0 in DxA at t = 0, � = v.. + Vn(J)+j= ° in A at t = 0, dW -' = ° on (0, T] x dDI X A , dn D dWj - f! (W - w) = O on (O T] X dD2 x A l an 1 1 1 , . , dWj - �v�w. +u·VWj = F/'(t , z, V) } + Fn*(J )+ j (t , z, Vk ) - lIjf ( Wi - Wj ) in (0, TjxA, � � VIWj + �j �Wj = Wj I = Vi I + Vn(J)+j I = 0 on (0, T] x (JAI , anI . . . (3.4.1) (3.4.2) (3.4.3) (3.4.4) (3.4.5) (3.4.6) (3.4.7) (3.4.8) (3.4.9) (3.4.10) with Wj = Vi + vn(l )+Jor all i = 1 , .. ,nU) and Wj = Vi + Vn(J)+i , for all i = 1 , . . ,n(J) generate solutions (Cj , C) of the system Sn, Bn. Proof We first note that if we set fj == Cj == Cj and [j == c.. == Cj for all t, where (Cj, Cj) is a solution of Sn, Bn, then we have a solution of the new system S2n, B2n, so that the solution set of this new system contains all of the solutions of the original system Sn, Bn. In this system, we make the variable change (3.4.1 1) Vi =c.. , Vn(J)+j = -c;..j , for i= I , . . ,n(J) , (3.4.12) so that the coupl ing functions f/ and Fj* are nondecreasing runctions of all the new dependent variables Vj and Vj' respectively, for all j ,to i. Denote this system by Sin ' Bin . The solutions o f Sn, Bn generate solutions in Sin ' Bin for which Wj = Vj + vn{l )+, = ° for i= 1 , . . ,nU) in [0, T] x D x A and Wj = Vi + Vn(J)+i= 0 for i= l , . . ,n(.I) in [0, T] x A . Suppose we have a solution (Vi, Vj) of Sin ' Bin for which (Wj, W;) defined above satisfy Wi = Wi = 0 everywhere at t = ° and conditions (3 .4.5)-(3 .4. 10) are satisfied. We then obtain the following system of equations, S� for (Wi, Wj) : 3.4 IMBEDDING RESULTS = �(t, z, �j ' Cd -Ej (t , z, �j ' Ck ) - lIjL.a 2 (HI; - Wj ) 50 (3.4.13) (3.4. 14) =F;(t, z, Cj-Wj, Ck)-E;(t, z, Ci-Wj, Ck)-HjIa.a2 ny.·-w.} in (0, T]xJ1 , (3.4.15) In addition , (Wj, Wj) satisfies the boundary condi tions B� given by Bn with zero in itial condi tions and Wj, I =Vi,1 + Vn(J)+j.l = O. But 1 ;(1 , x, Cj - Wj ' ck ) -L(t , x, Cj '- Wj ' ck ) and F;(I , z, Cj _. Wj ' Ck )-Ej(t , z, Cj - Wi ' Ck ) -HjI (HI; -Wj ) vanish when Wj == Wj == 0 for all j, and since (Wj, Wj) == 0 is a solution of this initial value d.a2 problem and by Theorem 3 . 3 . 1 (Generalised Uniqueness theorem), is the only solution, we conclude that W j == 0 in [0, T] x .Q x A and Wj == 0 in rO, T] x A. The conclusion of our tlleorem must follow.O An immediate consequence of these imbedding results is that existence, uniqueness and stability results for the system S;" ,B;" implies existence, uniqueness and stability for the corresponding solution of S", B". Of course, solutions of S", B" may be stable in S", B" , but unstable in the larger setting Sill ' Bi" . A direct implication of these results is that nonexistence results of the system Sill ,Bi" implies nonexistence for the system S", B". There are other impl ications of these imbedding results that are d iscussed in section 3.7. Remark 3.4.1 Note that the functions and in the right hand sides of (3.4. 1 4) and (3.4. 1 5) are monotone nondecreasing in Wj and Wi, respectively. In section 3.5 we shall study the stabil ity of solutions of the system S", B" and uniqueness of soutions to the steady state system '�'" 8" . 3.5 STABILITY OF SOLUTIONS AND UNIQUENESS OF SOLUTIONS 51 TO THE STEADY STATE PROBLEM 3.5 Stabil ity of Solutions and Uniqueness of Solutions to the Steady State Problem In this section, we establish some useful sufficient conditions for the global stability of all solutions of the general system Sn, Bn. By global stability of a solution (Cj, Cj) of Sn, Bn, we mean that arbitrary changes in Cj,O and Cj,O decay to zero with increasing t. Such stability implies the uniqueness of the solutions to the steady state problem, since if (Cj l , CiI) and (Cj2, Cj2) are two steady state solutions of Sn, Bn satisfying the same boundary conditions, the disturbances (Cj2 - cil ' Cj2 - Cil ) in the initial conditions of (Cjl , Cjl ) must decay to zero, implying that only one of these could be a time independent solution. We assume at the outset that the system Sn, Bn is a quasimonotone system, i .e. /; and Fj are monotone nondecreasing in Cj and Cj respectively for j :;C i. This is not a restriction on the theorems of this section since if this monotone property is not satisfied, then the system Sn, Bn with general functions/; and Fj can be imbedded in a system S2n ' B2n of the same form where I;(t, x, Cj) is replaced by 1; (t , X, fk ' c,) for the first n(T) dependent variables Cj and by jj (t, X, fk ' c, ) for the next n(T) dependent variables f.j. Also, Fj(t, z, Cj) is replaced by F;(t, z, �k ' �) for the first n(J) dependent variables E; and by E.j (t, z, �k ' �) for the next n(J) dependent variables Cj• The stability and uniqueness results obtained for this new system then apply to the original system by the imbedding results of section 3 .4. Suppose (Cj, Cj ) is a solution of a quasimonotone system Sn, Bn for which the velocity distribution U is independent of time. We set OUl to find positive functions (Uj, Vj) and conditions on /; and Fj so that (Cj + AUj , Cj + AUj ) are upper functions and (Cj - AUj , C, - A Vj ) are lower functions for all A > 0. When such functions (Uj, Vj) exist, they give us a family of comparison functions associated with (Cj, Cj ) for all A. > ° which have a bearing on the stability of the solutions of the system Sn, Bn, including the steady state ones and provide a means of establ ishing conditions under which these are unique. We first note that the functions (Uj, Vj ) need to satisfy the following conditions if they are to generate upper and lower functions for all A > 0: (i) For components i E I, where Dj, IIj > 0, Uj are continuous in [0, T] x {2 x A , their first-order xr derivatives exist in (0, T] x {2 x A , their second order xjxk-derivatives and first order t­ derivatives exist and are continuous and uniformly bounded in (0, 71x{2xA; (ii) For components i E I, where Dj = Hj = 0, Uj are continuous in [0, T] x {2 x A and their first order t-derivatives exist and are continuous and un(formly bounded in (0, 71x{2xA; (iii) For components iE J, where 9)j > 0, V j are continuous in [0, T] x A , their first order z derivatives exist in (0, T] x A , their second order zjZk-derivatives and first order t-derivatives exist and are continuous and uniformly bounded in (0, T] xA; (iv) For components i E J, where 9)j = 0, U · VUj $.0, Vj are continuous in [0, T] x A , their first order Zj derivatives exist in (0, T] x A and their first order t-derivatives are continuous and uniformly bounded in (0, T]xA; (v) For components i E J, where Ellj = 0, U · VVj == 0, Vj are continuous in [0, T] x A and their first order t-derivatives exist and are continuous and uniformly bounded in (0, T]xA; (vi) (vii) Uj > ° in {2 x A and Uj > ° in if at t = 0; au · -' � ° on (0, T] x a{2l xA; an (3.5.1) (3.5.2) 3.5 STABILITY OF SOLUTIONS AND UNIQUENESS OF SOLUTIONS 52 TO THE STEADY STATE PROBLEM (viii) D· OUj -H ·(U - u·) > 0 on (0 T] x oD2xA l dn " , - , , (ix) (x) (xi) (xii) (3.5.3) (3.5.4) (3.5.5) (3.5.6) (3.5.7) If Ii and Fj are assumed to be differentiable, then it follows from the mean value theorem that the right hand sides of (3 .5 .6) and (3 .5.7) are equal t�ah (t, x, Cj + Aiuj )u, an�aF; (t, z, Cj + Ai*Vj )Vi. respectively, dC ' 0 ac u " , * , ** . (0 ' ) . "" \ ) . _ ) lor some I\.j , I\.j In , I\. . -.I ..) - I The following conditions on the derivatives of Ii , Fj and on the solutions (Uj, Vj) of a l inear system of equations Pee) derived from Sn, En are sufficient to provide a family of upper and lower functions of the type we seek. Assume there exists COlIstUllts aj} such thai. (!�; ( I , x, Ok ) � aU for ull (I, x , z) ill 1 0, '1' 1 x !2 x It ulld dej dF ' for all 8k and assume also that there exists constants Ai} such that ac�(I , z , ed � Ai} for a l l (t, z) in _ ) [0, T] x It and for all Bk. Note that ail � 0 and Ai} � 0 for j "# j since we have already assumed thatli and Fj were quasimonotone non decreasing. We look for posil.ive functions, (Uj, Vj) of separated variables form and V. = e-elw. 1 I ' (3.5.8) (3.5.9) for some e > 0, satisfying the l inear inequalities (3.5 . 1 )-(3.5 .5), together with the following l inearised versions of (3.5 .6)-(3 .5 .7): and dUj -D.V2u . -� a .u . > O in (0 T]xDxIt at 1 x 1 LJ I) ) - , , ) (3.5.10) aVj - 9).V2V · +u ·VU +H ·sflj · -� A-V >I-I J u· in (0 T]xlt (3.5.1 1) at 1 1 I I I LJ I) ) - 1 a� I ' • J Such functions exist and generate upper and lower functions for any solution of Sn, En and any A > 0, i f we can find Wj and Wj positive in D x lt and It respectively, satisfying the inequalities (3 .5. 1 2)-(3.5. 17) below. The functions Uj and Vj defined by (3 .5 .8)-(3 .5.9) then satisfy the inequalities (3 .5. 1)-(3.5.5) and (3.5. 10)-(3.5. 1 1) . Matrix notation is convenient for the linearised system which follow. Let W denote the n(l)-vector with components Wj and let D, H, In(l) denote the diagonal n(l)th order matrices with diagonal elements Dj, Hj and 1 where In(l) is the n(l)xn(1) unit matrix. Let W, WI denote the n(J)-vector with components Wj, Wj, ! and let 9), In(J) denote diagonal n(J)th order matrices with diagonal elements 9)j and 1 where In(J) is the n(J)xn(J) unit matrix. Also, let a and A be the matrices with elements ajj and Ai} respectively. The vectors (w, W) are required to be positive solutions of the matrix system pee): 3.5 STABILITY OF SOLUTIONS AND UNIQUENESS OF SOLUTIONS 53 TO THE STEADY STATE PROBLEM (3.5.12) (3.5. 13) (3.5.14) (3.5.15) (3.5.16) (3.5.17) Theorem 3.5.2 If (w, W) have positive components in n x A and A which are solutions of Pee) for some e > 0, then all solutions of Sn, Bn (including the steady state ones) are globally stable. Proof Let (ei l , CI) be a solution of problem Sn, Bn satisfying I.hc continuity requirement or the Theorems 3 .2. 1 2 (Generalised Strong Comparison theorem). Consider the functions - 1 -£1 1 -151 C- C 1 -elW C C 1 -elW Cjl = Cjl +l\.e Wj , fjJ = Cjl - l\.e Wj , jl = jJ +l\.e j , _jl = il - I\.e j , where w, and Wj are positive solutions of problem Pee) for some e > O. (3.5.18) It is a tedious but trivial exercise to show that when A > 0 and Ii(t, x, Cjl ) and F;(t , z, Cjl) are monotone nondecreasing in Cjl and Cjl for j :F- i, then (fjJ ' {2jl ) and (Gil ' Cjl ) defined by equations (3.5. 1 8) satisfy all the requirements of Theorem 3.2. 1 4. I f (Cj2, Cj2) is any other solution of problem Sn, Bn satisfying the same boundary conditions (2. 1 . 7) (except when 9)j = 0, U· V Uj ;{= 0), but different initial conditions, we may take A large enough so that (Cj2, Cj2) is bounded by (fil ' {2jl ) and (ejl ' C;I ) at t = O. Theorem 3 .2. 1 4 then implies these bounds are sustained for al l finite time, and since these bounds decay exponentially (with exponent -et) to (Cj l ,Cjl ) , we see that all solutions are exponentially stable . Moreover, if the steady state problem has a solution, then it is unique and exponentially stable.O If n = n(I) = n(J), and all w are coupled to W by (3 .5 . 1 4) , then the system Pee) can be uncoupled in the x and z variable by means of the matrix transformation W(x,z) = O(x)SW(z), where 8(x) satisfies the boundary value problem: DV�O+(eI +a)8 =O in n, ao an = 0 on aDI , D a8 =11(S-I - 8) on anz, an (3.5.19) (3.5.20) (3.5.21) (3.5.22) 3.5 STABILITY OF SOLUTIONS AND UNIQUENESS OF SOLUTIONS 54 TO THE STEADY STATE PROBLEM and vector W(z) satisfies the differential inequal ities: 9>V2W - U . VW + (eI - ..9IH + A)W + ( Hf e)SW � O in A, dil2 (3.5.23) (3.5.24) (3.5.25) Suppose we impose further conditions on Sn, Bn, by assuming the matrix a is the product of a positive diagonal matrix d and a symmetric matrix b (i .e. , a = db), a not uncommon feature of kinetic equations, while D and H are proportional so that 11 = fD for a positive number y. In these circumstances, the equations for e may, by a suitable choice of S (in fact S = T- I ) be expressed in the form e(x)=Tcp(x) whence, by a choice of T shown below, qi,.x) can be made diagonal. The matrix cp satisfies the equation (3.5.26) where T' denotes the transpose of T. The matrix T can be chosen so that T(Erl +b)T=p, a diagonal matrix and T d-IDT = J, where J is diagonal with the ith diagonal element equal to one if Dj > 0 and equal to zero if Di is zero. We may choose E so that p is nonsingular. If S-I = T, then in Q we have and on the boundaries of (JQ, J �� = 0 on r)QI , (Jcp J-= rJ(J - cp) on (JQ2. (In We see that all the components of cp are uncoupled, and w = TcpT- I W. (3.5.27) (3.5.28) (3.5.29) Problem P*(E), where the inequalities are replaced by equalities may have non zero solutions when WI = 0 for certain values of £ (eigenvalues). If £1 is the smallest eigenvalue of £ and £1 is positive, then in general, we can find a positive E* 0, Cj are continuous in [0, T] x.Q x A , have continuous first order Xj derivatives in (0, T] x.Q x A , continuous second order Xj derivatives in (0, T] X.Q x A and continuous first order t derivatives in (0, TJx.QxA. In this case, we shall look for classical solutions of the fonn Cj (t, x, Z) E C1,2,O [(0, T] x.Q x A , Rn(/) ] . (ii) For components i E I where Dj = Hj = 0, Cj are continuous in [0, 'J'] x.Q x A and have continuous first order t derivatives in (0, TJx.QxA. In this case, we shall look for classical solutions of the fonn Cj (t, x, Z) E CI,o,o [(O, T] x.Q xA , Rn(l) ] . 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 58 (iii) For components i E J where gJi > 0, Ci are continuous in [0, T1 x X, have continuous first order Zj derivatives in (0, T] x X, continuous second order Zj derivatives in (0, T) x A and continuous first order 1 derivatives in (0, T) x A . In this case we shall look for classical SolUlions of the form Ci (l, Z) E Ci,2 [(0, T) x A , Rn(J») . (iv) For components i E J where gJi = 0. U · '\lCi =f- 0, Ci are continuous in [0, T) x A , have continuous first order Zj derivatives in (0, T) x A and continuous first order 1 derivatives in (0, T) x A . In this case we shall look for classical solutions of the form Ci(t, z) E Ci.i [(O, T) x A , Rn(J» ) . (v) For components i E J where gJj = 0, U · '\lCj == O. Cj are continuolls in rO, T] x A and have continuolls first order 1 derivatives in (0, T) x A. In this case we shall look for classical solulions of the form Ci (l, Z) E Ci.O [(O, T) x A , Rn(J» ) . Comparison theorems are used i n this section i n conjunction with theorems on a priori estimates and existence of linear parabolic equations to derive estimates of the system Sn' Bn and to prove the existence of solutions to this system. There may be some cases where Di or gJi may be zero and these cases are treated by using standard results. We shall need some additional continuity properties to establish existence of the corresponding linear system and make the following assumptions on h (l , x, Cj ) and I� (t, z, Cj) . (H2) (i) h(l , X, Cj ) E Ca/2.a [[0, T] x .Q x R n(l) , Rn(l ) ] , i .e . , h(l, x, Cj ) is H()\der continuous in 1 and x with exponent aJ2 and a , respectively, for each fixed value of Cj. (ii) � (I , Z, Cj) E Ca/2•lX I [O, T] x A x Rn(.l) , R"(.I » ), i .e . , � (I, z, Cj ) is H()\der continuous in I and Z with exponent a/2 and a respectively, for each fixed value of Cj. From Lemma 3 . 1 .3 , we see that exponents a in both cases may be assumed to be identical. 3.6. 1 The Monotone System Sm Bn We may assume at the outset that the system Sn, Bn is a monotone system in the sense that h (I, x, c) i s monotone nondecreasing in Ci and F;(t, z, C) is monotone nondecreasing in Ci. This is not a restriction on the theorems of this section since if this monotone property is not satisfied we may make the fol lowing substitution to obtain a system of the same type but with new functions that are monotone nondecreasing in Ci and Ci . We first observe that if (Ci, Ci) is a solution of Sn, Bn, then the functions (Wi, Wi) defined by and satisfies the following system of equations: aWi D n2 K KI F ( -KI ) . (0 1'J �'A -- i V xWj = Wj + e Jj t , x, e Wj In , X �A , at aw· -' = ° on (0, 7lxa.aixA, an (3.6.1) (3.6.2) 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 59 - -------.-.---- - - -_._- - _._----------- --- - -- -- -------- Wj (O, x, z) = Cj ,O in .QxA, Wj(O, z) = Cj,o in J\. This system is similar to the original system Sn' Bn with the nonlinear coupling function h (t, x, Cj) for Cj components replaced by K Kl f( ,-KI ) wj + e )j t , x, e wi ' and nonlinear coupling function F;(t, z, Cj ) for the Cj components replaced by KW; + eKt F;(t , z, e-KtWj ) . These functions satisfy a monotone property given by the following lemma: Lemma 3.6.1 (3.6.3) (3.6.4) Our assumptions (N \) of Lipschitz continuity properties for the functions h and Fj with respect to Cj and Cj, imply that the functions KWj + eKtl;(t, x, e-Ktwj) and KW; + eK'F;(t , z, e-K1Wj ) with Cj = e-K1wj and Cj = e-K1W; , are monotone tlondecreasing in Wj and Wj, respectively. Proof Assume that Wj � wj so that Cj � cj . From (H I) , we see that and therefore, [KWj + eK'I; (t , x, e-K'w)J- fKwt +eK'I;(t , x, e-K'wj )l = KeK1 (cj - c; ) + eK' [I;(t , x, c)-I;(t, x, cj )] � -eK1 [K(c; - Cj ) - Kj (cj - c)] � 0, i f K is chosen to be large enough. This shows that K Kl f ( -KI ) < K * Kl f ( -KI * ) wj + e )j t , x, e Wj _ Wj + e )j t , x, e Wj , so that this new coupling function KWj +eK'I; (t, x, e-K1wj ) is monotone nondecreasing in Wj. A similar argument holds if we have to show that KW; + eK1 F; (t, z, e-K1Wj) is monotone nondecreasing in Wj.O 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 60 Remark 3.6.1 The substitution Cj = e-K1wj and Cj = e-K1W; which gives us a simi lar system with new functions KWj + eK1/;(t , x, e-K1wj ) and KW,' + eK1fj(t , z, e-K1W) from fj and Fj and which are monotone nondecreasing in Cj and Cj, respectively is discussed by FRIEDMAN [94, p.202] and PAD [208] . Note that if K is chosen large enough our new functions are strictly monotone increasing in Cj and Cj . Remark 3.6.2 From the Lipschitz continuity properties of the functions j; and Fj, it can be shown thatj;+kjcj and Fj+KjCj are monotone nondecreasing in Cj and Cj, respectively, where kj and Kj are Lipschitz constants off,' and Fj, respectively (PAD [2 1 1 D. I f furthermore, the functions j; and Fj are monotone nodecreasing in Cj and Cj, respectively, for j ':I- i, thenj; and Fj will be quasimonotone nondecreasing. It can also be shown that these new functions also satisfy the same Lipschitz and H61der continuity properties as our original functions. Lemma 3.6.2 Our assumptions (HI ) of Lipschitz continuity properties for the functions /; and Fj with respect to the variables Cj and Cj imply similar Lipschitz continuity properties for the functions KWj + eK1/;(t, x, e-K1wj) and KW; + eK'F;(t , z, e-K1Wj ) with respect to the variables Wj and Wj, w h ere c - = e-K1w- and C. = e-K1W l J J J ' Proof We need to only show that where, I fKWj +eK1/;(t , x, e-K'wj)l - [Kwi + eK1/;(t, x, e-K'wj )l l � Klwj - wi l+eK' I/;(t , x, e-K1wj ) -/;(t, x, e-K1wj )1 < Klw- - w" l+eK1k· le-K1(w . - w�)1 - I I I J J < Klw- - w� l+k· lw · - w" 1 - I I I J J � k sup IWj - wj l , J k = max (K, kj ) . J The first part of the proof is complete and the rest of the proof follows simiiarly.O Lemma 3.6.3 Our assumptions (H 1) of Lipschitz continuity properties for the functions Ii, with respect to the variables Cj and assumptions (H2) of Holder continuity properties for the functions /;, with respect to the variables t and x with Cj fixed imply similar Holder continuity properties for the functions KWj + eK1/;(t, x, e-K1wj ) with respect to the variables t and x with wj fixed, where cj = e-K1wj . Similarly, our assumptions (111) of Lipschitz continuity properties for the functions Fj, with respect to the variables Cj and assumptions (H2) of Holder continuity properties for the functions Fj, with respect to the variables t and z with Cj fixed imply similar Holder continuity properties for the functions KW; + eKI F;(t, z, e-K1Wj ) with respect to the variables t and z with Wjfixed, where Cj = e-K1W; . Proof -- - . . _ - - -- - ------- - - - - 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 61 We shall only show that h(t , x, e-Ktwj ) is Holder continuous in t. The rest of the proof is similar and follows from Lemma 3 . 1 . 1 and Lemma 3. 1 .2. 1 1i(1, x, e-Ktwj )_ Ii( t: x, e-Kt• wj)1 where Remark 3.6.3 - I j: ( -Kt ) j: ( * -Kt ) j: ( * -Kt ) j:( * -Kt· )1 Ji I , x, e Wj - Ji I , x, e Wj + Ji I , x, e Wj - Ji I , x, e Wj < I j: ( -Kt ) j: ( o -Kt )1 I j: ( o -Kt ) j: ( o -Kt· )1 - Ji t , x, e Wj - Ji t , x, e Wj + Ji t , x, e Wj - Ji t , x, e Wj < k ( f )l t - t* lal2 + k ( f )le-Ktw · _ e-Kt• w · 1 - t Ji 1 Ji J J � kt (Ii)I I - lo laI2 + ki (Ii)l wj l le-Kt - e-Kt · 1 � kt (Ii )I I - l o laI2 +ki (Ii )l wj IKTI-aI2 I t _ t* IIXI2 � k i t - t* la/2 , Note also that we may just as well have chosen the substitution ci = e -Kxl wi and Ci = e -Kzq.� , (where XI and Z l are chosen without loss of general ity to be the first components of X and z) instead of (3.6. 1 )-(3 .6.2) and arrived at the same conclusions in Lemma 3 .6. 1 , Lemma 3 .6.2 and Lemma 3 .6.3. We may assume that the substitution (3.6. 1 )-(3 .6.2) has been made and that Ii (t, x, c) is monotone nondecreasing in Ci and Fi(t , z, Cj ) is monotone nondecreasing in Ci. If, on the other hand the monotone property is not satisfied by al l the other variables in these two functions, then the system Sn ' Bn with general functions/.' and Fi can be imbedded in a system S2n ' B2n of the same form where /'(1, x, Cj ) is replaced by lCt , x, f,k ' c/ ) for the first n(l) dependent variables ci and by jj (I, X, f,k ' c/) for the next n(!) dependent variables fi ' Also, FiU, z, Cj ) is replaced by �U, z, �k ' E;) for rhe first n(.!) dependent variables C; and by E.i (t , z, �k ' 'Et) for the next n(.!) dependent variables kj . The existence results obtained for this new system of twice the order satisfied by (f2i ' L ) and (ci ' C;) then implies a solution of our original system Sn ' Bn by the imbedding results of section 3 .4. It has been shown in Lemma 3.2.2 that the functions L, l , E.j and F; satisfy the same Lipschitz continuity properties as our original functions .li and Fi in the system Sn ' Bn . It can also be shown in the following lemma that these new functions satisfy the same Holder continuity properties as our original functions. Lemma 3.6.4 Our assumptions (H2) of Holder continuity properties for the functions h' with respect to the variables t and x with Cj fixed, imply similar I-Iolder continuity properties for L and l with respect to the variables t and X with f,k and CI fixed and so there are constants kt and kx such that If · (I , x, fb C/ ) -f ·U: x, fk ' Cj)1 � kt (f · )lt - t* I(X/2 , -, -, -, - - - * - - * a/2 Ih(t, x, fk ' C/ )-h Ct , x, 12k ' c/ )1 � kt (h)l t - t I , If · (t, X, fk ' c[ )-f · (t, x: fk ' c[)1 � kx(/ · )lIx -x* l Ia , -I -I � (3.6.5) 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 62 Similarly, our assumptions (H2) of Holder continuity properties for the functions Fj with respect LO the variables t and z with Cjfixed, imply similar Holder continuity properties for Ej and � with respect to the variables t and z with (;.k and C; fixed and so there are constants K, and Kz, such that Proof - - - . - - . a/2 1F; (t, z, (;.k ' C[ )- F;(t , z, �k ' C[ )I � K, (F; )lt - t I , - • - • a IEj (t, z, �k ' C, ) -Ej (t, z , �k ' C,)I � Kz(E;)lIz - z II , I�(t, Z, �k ' C; ) - �(t, z: �k ' C;)I � Kz (�)lIz - z· l Ia . (3.6.6) Since f.k ' C" �k and C; are fixed, lhis lemma follows direclly from the definitions of L, ];, Ej and F; in (3.2.9)-(3 .2. 1 2) and assumplion (H2).O For the purposes of our existence proof, we may henceforth assume our coupling functions fj and Fj are monotone nondecreasing in the variables Cj and Cj, respectively, for all). Remark 3.6.4 CARL and GROSSMAN [47 1 have an analogous defin it ion for the funct ions L and l;. It is shown that i f h(t , x , u) are Caratheodory type functions , thul i s for almosl all x E [2, the funclions ii arc conlinuous on Rm, and for all u E Rm, the functions Ii are measurable on n, then so are the functions L and l;. This is proved using a measurable seleclion theorem which is usually known from optimisation theory. 3.6.2 Upper and Lower Solutions and Monotone Iteration We shall now introduce the concepts of upper and lower solutions relative to the monotone system Sn' En . Definition 3.6.1 . Assume that (i) For components i E I, where Dj > 0, fj and Cj are continuous functions in [0, T] x Q x A with continuous firsl order Xj derivatives in (0, T] x n x A , continuous second order Xj derivatives in (0, T] x n x A and conlinuous first order t derivati ves in (0, T] x n x A ; (ii) For componenls i E I, where Dj = H, = 0, fj and Cj are continuous functions in [0, T] x n x A with continuous first order t derivatives in (0, T] x n x A ; (iii) For components i E J, where 9Jj > 0, C and Cj are continuous functions in [0, T] x A , with continuous first order Zj derivatives in (0, T] x if, continuous second order Zj derivatives in (0, Tl x A and continuous first order t derivatives in ; (iv) For components i E J, where 9Jj = 0, U · V' C , U · V' Cj $0, �j and Cj are continuous functions in [0, T] x A , with continuous first order Zj derivatives in (0, T) x A and continuous first order t derivatives in (0, T] x A ; (v) For components i E J where 9Jj = 0, u ' V'�j , u ,V'Cj == 0, C and Cj are continuous functions in [0, T] x A , with continuous first order I derivatives in (0, T] x A ; 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 63 The ordered pair of functions (fi ' qi) and (ci ' Ei ) with fi � ci on [0, T] x.Q x A and qi � Ei on [0, T] x if are said to be lower and upper solutions of Sn' Bn respectively, if they satisfy: tlnd afi 2 . Tt-D/Vx fi � h Ct , x, f) In (0, l1x.QxA, aCi a� � ° on (0, T]xaQ]xA, aco Di a� � Hi (qi- fi ) on (0, l1xaQ2xA, aCi 2 f �- g)V C+u ·VC+H (C - c ) < F (t z C -) in (0 11xA at 1 _I _I 1 Bil2 _I 1 - 1 ' , -J ' , ac VI (;i + !lli -:-,_' � v]Ci.] on (0, l1xaA] , on] aCi 0 -:-, - � ° on (0, 71xaAa, a = 2, 3 , ona fi CO, x, z) � ci,O in QxA, ��i -DjV� Ci "? h(t, X, Cj ) in (0, T]x.QxA, �CI "? 0 on (0, T]xrJQ]xA, on D aCj > Ho (E - c ) on (0 TJx Y22xA , an - l " , a , aE 2 - - f - - -' - 91\1 C + u o VC+ l- I (C- c » F(t z C - ) in (0 l1xA at 1 1 1 1 Bil2 1 1 - 1 ' ' J ' , - aE VI Ci + !lli �"? v]Cj ] on (0, l1xaAI , on] , �Ei "? 0 on (0, T]xaAa, a = 2, 3 , ona respectively. The strong comparison theorem shows that if (fj , q; ) and (Cj , Ei) are lower and upper solutions of Sn, Bn and (Cj, Cj) is a solution of Sn' Bn , then fi � Cj � Cj and (;j � Ci � Ei . The existence of monotone sequences depend therefore on a suitable pair of lower and upper solutions. This is by no means ensured without addition restrictions on the nonlinear reaction functions. PAO [222] gives sufficient conditions for the existence of lower and upper solutions for parabolic equations. . , at; . aF . These will reqUIre thatli or _0_' to be umformly bounded and Fi or _, to be umformly bounded. CARL ac ae J J 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY ST ATE PROBLEM 64 [46] gives a method to show how these lower and upper solutions can be constructed . TAM [278-28 1 ] used comparison theorems to construct upper and lower solutions for parabol ic equations and compared these solutions with the exact numerical solutions. It is important to note that these lower and upper solutions provide lower and upper bounds for solutions and that these bounds can be improved by monotone i terative techniques. We shall for the purposes of an existence theorem. assume tJ1at upper and lower solutions exist. In order to establ ish an existence llieorem for Sn . Bn in terms of upper and lower solutions. we define a transformation fi, by (dk) dk» = ff(c<.k-I) c<.k-I» J ' I I J ' J ' and consider the sequences ( (c(k). C(k» } where c(k) is obtained from the linear system " , ac(k) _' _ _ D·V2C 0, C- E C2+lX, CX [Q X A Rn( l» ) . I ,D " (ii) For components i E /, where D i = Hi = 0, (iii) For components i E J, where 9)i > 0, (iv) For components i E J, where 9)i = 0 and u , VCi $. 0, c · E C t +a r A Rn(J» ) and C · E Ca12,a r(O T) x iJA Rn( J» ) " & ,0 ' 1, 1 , 1 t , (v) For component.s i E .I, where 9) .. = 0 and u ·VC .. == 0 , The velocity distribution vector function U(I , z ) is also required to satisfy the following Holder continuity property: For components i E J, where 9Ji = 0, U· VCi $ 0, we shall also need the following additional assumptions (Hs) (i) For each (10, zo) E [ O,T] x A , there exists a unique solution z(t, 10, zo) of dz - = U(I, z ) , z(to) = Zo, on [0, T] ; dt (ii) z(t, 10, zo) is continuously differentiable with respect to (to, zo); (iii) The relationship holds. (3.6.16) (3.6.17) (H6) 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 66 --_. --_. __ ._--_._ .. _--_._----- (i) For each Zo E A and YjO E Rn(J) , there exists a unique solution Yj(t , 0, YjO; ZO) of at; - F ( ( ) C(k-I» Ii �JV I_ J f (k-I) ( ( . ° - ( :l j I, z I, 10 ' zo , j - j vHj + r. j cj I , x, z 1 , /0 , zo» , Y,( ) - YjO, 3.6.18) al Jil2 on [0, 11, where Z(/ , 10, ZO) is the unique solution of (3.6. 1 6); (ii) YlI, 0, YjO; ZO) is continuously differentiable with respect to (YjO, Zo) . Note that assumptions (H3)-(Hs) will hold in either our original system Sn ' Bn or the monotone system S2n ' B2n and (H6) can be shown to hold in the monotone system S2n ' B2n if it holds in our original system Sn , Bn · I.emma 3.6.5 Consider Ihe IBVP (3 .6.8)-(3 .6 . 15) and suppose Ihat the assumptions (// 1 )-(114) hold. Let there exiSI (fj , C) and (Cj ' Cj ) which are lower and upper Solulions of Sn ' Bn wilh 9.j S; cjk-I) S; Cj on [0, T]xnxA d C < C(k- I ) < C- [0 T] A an -i - i - j on , x .11 • Assume Ihal (i) For componenls j E I, where Dj, I-Ij > 0, e)k- I ) E c(\ + a)/2,1 + 1l.t1 [(0, T] x .Q x A , Rn( l ) ] ; (ii) For components j E I, where Dj = IIj = 0, C)k-I ) E C a/2 , a, a [(0, T ] x .Q x A , Rn( l ) ] ; (iii) For componenls j E i, where 9Jj > 0, C)k-I) E c( l +a)/2, I +a [(0, T] x A , Rn( J ) ] ; (iv) For componenls j E i, where 9Jj = 0, U · VCY-I) $0, CY-I) E C(\+a)/2,a reO, T ) x A , Rn( J » ) , and assump/ions (/-/s)-(H6) hold; (v) For compOnenlS )' E i where 9J = ° U · VC(k-l) == ° C(k-I) E C(\+a)/2.a [(0 T) x A R n( J» ) , J ' J ' J " . Then the IBVP (3.6.8)-(3 .6.15) possesses a unique solution (c;k) , C[*» , where (I) (II) (III) (IV) (V) For componenls i E I, where D" J-J j > 0, c1k) E C I +a/2,2+ a,a [(0, T ] x .Q x A , Rn( l ) ] ; For componenls i E I , where D j = II j = 0, cfk) E C I+a/2,a,a [(0, T ] x n x A , Rn( l ) ] ; For components i E i, where 9Jj > 0, C?) E CI +a/2,2+ a [(0, T ] x A , Rn( J ) j ; For componenls i E i , where 9Jj = 0 , U · VCfk) $ 0, Cfk) E C I+a/2, 1+a [(0, T ) x A , Rn( J ) ] ; For com'Jonents i E i where 9J. = ° U · VC(k ) == 0 C(k) E Cl +al2.a [(O T ) x A Rn( J» ) J" • , " I ' I . " . Furthermore, in all cases cfk) and Cfk) satisfy the inequalities fj $ c�k ) $ Cj i n [0, T] x Q x A and �j S; Cj(k) S; Cj in [0, T ] x A . Proof We first consider the case when Dj, 9Jj > ° for all }. It i s obvious that for equations (3.6.8)-(3 .6. 1 1) , all conditions of Theorem 3 . 1 .2 except for those l isted in assumption (iv) are satisfied. Note that the function Cjk-I) in the boundary condition of cfk) are functions of I and Z but are independent of x. The function Cjk-I) therefore satisfies the Holder continuity property in I required by assumption (v) of Theorem 3 , 1 ,2 and Z may be treated as a parameter. It is therefore enough to show that h (/ , x, C)k-1» E C a l2,a, a [[0, T) x n x A x Rn(/) , Rn( / ) ] . 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 67 We have where, Also , where, I/i Ct , x, C)k-I ) (/, x, Z»-/i Ct: x, C)k-I) Ct: x, z» 1 � kt (fi )[I/-I ' IIX/2 + IC)k-I) (/, x, Z)-C)k-I )Ct: x, z)IJ � k/ (/i )[ I/ - I ' llx/2 + kt (C;k- I» I / - I ' I( I+IX)/2 ) � kt (/i (I, x, C;k-I» )I/ _ I* IIX/2 , (3.6.19) 1 f. ( (k- I)( » _ r.( ' (k- l)( " » 1 < k ( 1". ) [11 _ ' IIIX 1 (k-1 ) ( )_ (k-1) ( • * )IJ JI I, X, c) I, x, Z JI I, X , c) I, x, z _ X,Z JI X X + Cj I, x, z Cj I, x , z � kx,z (/i )[l Ix - X* IIIX + kx,z (C)k-I» (lC)k-I\1 (d(Q » l -IX l ix - x* lIcx + l iz - z* IICX )J < k ( 1". (1 X C(k-I » )(l Ix - x' IIIX + I Iz - z' lIlX ) - X,z Ji , , J ' (3.6.20) These two equations together show that (3.6.21) i .e., /i (t , x, e)k-I » is HOlder continuous in 1 and (x, z) with exponent a/2 and a, respectively. For a given z in A, it fol lows from Theorem 3 . 1 .2 that (3 .6.8)-(3.6. 1 1 ) has a unique solution cfk) , where cfk) (I, x; z) E C1+IX/2,2+cx [(0, T] x Q , Rn(l ) ] . To show that dk) is Htilder continuous in z with exponent a, we consider equations (3 .6.8)-(3.6. 1 1 ) with z and z* and look at the difference of these equations. Note that from the assumptions, so lhat lc(k-l) (1 z) - C(k-I)(t z' )1 < K (c(k-l » IC(k-I ) 1 (d(A» I-CX l l z- z* lIcx ) , ) , - z J J c1 , -kz (/i(/ , x, C)k-I » )lI z _ z* l Icx � /i(t , x, c;k-I )( t , x, z» - /i (t , x, C)"-I )( t , x, z' » � kz(/i(t , x, c;k-l» )lI z _ z* IICX , -Kz (CY-I» IC;k-l\1 (d(A» I - CX l l z - z' lIcx � cY-I)Ct , z) - cY-1) Ct , z * ) < K (C(k-l» IC(k-I) 1 (d( A» I -cx llz - z* IICX - z J ) cl , 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 68 It then foIlows that Letting and where -Kz (CY-I » lIi ICY-l ) ICI (d(A» I-lX l lz - Z* lIlX < D d ( (k)( ) (k)( *» (k) ) (k)( *» - i dn ci t, X, z -ci t, X, z +Hi(Ci (t, X, z -ci t, x, z < K (c(k-l » /-I. IC(k-I ) 1 (d(A» I-lX ll z - z* l llX - Z ) I } cl , .(k) ( ) .(k) ( " ) k ( " ( (k-l) )1 1 " I III ('j [ , X, Z - (.j I , x, Z - z .lj [ , X, Cj z - z I Kll z - z" l llX we obtain the problems and dW'2 2 0. aW2 _1_- o .V W2 < 0 _I -'- + W2< 1 W '2 0 < 1 at 1 x 1 - , II , an 1 - , I , - . 1 (3.6.22) (3.6.23) (3.6.24) (3.6.25) (3.6.26) (3.6.27) (3.6.28) (3.6.29) The problems (3 .6.28) and (3 .6.29) are equivalent and it foIlows by Theorem 3 .2.9 (Strong Comparison Thcorcm) for parabolic equal ions Ihat Wjl � - 1 , (3.6.30) and (3.6.31) -----�- 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 69 Therefore so that -(K + kz ( !; (t , x, c;k-J» )T)l I z _ z' l Ia � (dk ) (t , x, z) - cfk ) (t , x, z' » � (K + kz ( !; (t , x, cjk-J»)T)lI z - z' lIa , i .e. , c?) is Holder continuous in z. We see that (3.6.8)-(3 .6. 1 1 ) has a unique solution cfk ) , where cfk ) (t , x, Z)E C1+aI2,2+a,a [(O, T] x.Q x A , Rn(l) ] . (3.6.32) (3.6.33) (3.6.34) Note that the equation (3.6.32) could also have been obtained by integrating (3 .6.22) with boundary and initial conditions (3.6.23)-(3 .6.24) and noting that the corresponding Green's function is integrable. It is obvious that for equations (3.6. 1 2)-(3 .6. 1 5) , VI E Ca12,a [(O, T ] x 1\ , R n l and all conditions of Theorem 3 . 1 .2 except for those l isted in assumption (iv) are satisfied. Therefore, it is enough to show that F(t z C(k- I » + /I 'f C(k- l ) E CaI2,(X I I O T l x A x R"(.!) R"(J) l , ' ' j , tJ!l2 " ' , . We have where Also, I[ F; (/ , z, Cj(k - I ) (t , z» + Hj f cfk-I ) (t , x, z)] - r F; (/� z, Cj(k- 1 ) (t : z » + lIj f cfk-I ) (/� x, z)]1 an2 an2 :.:; I fj (t , z, CY-1) ( t , z» - fj (t : z, C;k-J ) (t : z» 1 + Hjlfan2 cfk-J)(t, x, z) - cfk- I)(t : x, z)1 < K (F )[ I / _ I ' laI2 + IC(k - I) ( 1 z) _ c(k-I) (t ' z)l] + H'f Idk-I)(t x z)_c(k-l)(/ ' x z)1 - I , ) ' ) " d[J2 J " I " < K ( F)[lt _ t ' la12 + K (C(k-l » lt _ t ' I( 1 + a)/2 ] + Irk (C�k-I » f It _ t' I(I+ a)/2 - , , � , j " , an2 < K (F )I' lt _ t " laI2 + K (C (k - I » l t - l ' I(I + a)12 ] + lI , k (c�k-I» sflt _ tO I( l+a)12 - , , � , j " , < K (F (t z C(k-I» + "' f C(k-I)(t x z» lt- t · la/2 - , , ' ' j , a!l2 ' " , (k-I) f (k-I) . , 1 /2 (C(k - I» k « (k-I) ] K, (F;(/, z, Cj )+ Hj an2 Cj (I, x, z» = [1 + I r K, j + Hj , Cj )S¥'] . (3.6.35) I[ fj ( t , z, Cj(k- I ) (t , z» + lIj J cfk- 1 ) (t , x, z») - l F; ( t , z� Cj(k -l ) (t , z· » + lIjf cfk - I ) (t , x, z')] 1 an2 an2 I F ( C(k-I ) ( . » F ( • C(k -I ) ( · » 1 L/ IJ (k -l ) ( ) (k -I) ( ' )1 :.:; i t , z , j t , z - 'j t , z , j I , Z + 1' i an2 Cj I , X, z - Cj t , x, z :.:; I fj (t , z, cjk - l ) ( t , z' » - fj(l , z� C;k - I ) ( t , zO » 1 + Hj fan2 ICfk - I) ( t , x, z)-dk-1 )(t , x, z')1 � Kz ( F; )[" z - z · "a + IC;k-I ) (t, z) - C;k-I) (t, z ' )I] + Hj kz (cfk- I» fan2 " z _ zo "u w here 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 70 K (F(t z C(k-l»)+ II I c�k-l») = K (F)[I + K (C(k-l»)IC(k-l) I (d(A))l-a )+ /I ·k (c�k-I») �� (3 6 36) z , ' ' j , J!l2 ' Z , . Z j j c1 , z , v'f . • • These equations together show that (3.6.37) i .e . , F; (t, z, CY-I» ) + I-/j fa� c}k-l) is HOlder continuous in t and z w ith exponent al2 and a respectiveiy. It follows from Theorem 3 . 1 .2 that (3 .6. 1 2)-(3 .6. 1 5 ) has a un ique solution Cfk) , where Cfk) E cl+aI2.2+a [(0, T) x A , Rn(J» ) . T o prove ( I ) and ( I I ) in the general case, w e need only observe that h (I, x , c;k-l) E Ca12.a,a [[0, T] x n x A x Rn(l) , Rn(l ) ] from (i) and (ii). The proof is similar to that shown earlier. In the case of (\), we note that for components i, where Dj, llj > 0, by the same argument as above using Theorem 3 . 1 .2. In the case of (I I) , we note that for components i, where Dj = Ilj = 0, (k ) ( ) _ rl � ( • (k-l) ( • »)d . Cj I , X, Z - Cj,O + J o Ji t , x, Cj I , X, z t , (3.6.38) (3.6.39) exists and is unique by the Holder continuity property of t�(t, X, C)k-I» in t , x and z. Also, if h(t, x, C)k-l» is Holder continuous in t w i th exponent a/2, then � is HOlder continuous in t w ith exponent a/2 . dt Furthermore, Letting and -k;c z (f; (t , x, cj(k-I » ))(I Ix - x' IIa + I Iz - z' IIa ) � �(cfk) (t, x, z) - cfk)(t , x: z ' )) , at � k;c,z (h (t, x, C)k-l» ))(IIx _x' IIa + " z - z' "a ) , Cfk ) (t , x, z) - cfk ) ( t , x, z* ) + k;c,z (h (t, x , c;k-I» )(l I x - x' l l a + I I z - z ' l I a )t kx, z (cj, o )(l I x - x' l Ia + I I z - z' l Ia ) (3.6.40) (3.6.42) 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM cV ) (t , x, z) - dk ) (t, x, z* ) - kx.z (!;(t, x. c;k-I »)( l l x - x· l la + l i z - z* l Ia ) t kx.z (Ci. O )(l lx - x* l la + I I z - z* l Ia ) we obtain the problems and OW'1 __ I > 0 W ' I O > - 1 ot - , ' . - , OWi2 < ° < 1 -- - , Wi2 0 - . ot . 71 (3.6.43) (3.6.44) (3.6.45) The problems (3 .6.44) and (3 .6.45) are equivalent and it fol lows by Theorem 3 .2.3 (Strong Comparison Theorem) for ordinary differential equations that Wil � -1 , (3.6.46) and (3.6.47) Therefore -(kx . z (Ci.O ) + kzUi(/ , x , (Y - l » )'J ')(l I x -· x · l IlX + I I z - z · WX ) � «(·Y ) (t , x, z ) - c? ) ( t , x, z · » � (kx.z (Ci.O ) + kz Ch(/, x, c;k-I» )T)(l l x - x· l la + l i z - z * l Ia ) . (3.6.48) so that i .e. , cV) is HOlder continuous in x and z. This result also follows by integrating (3 .6.40) through w ith respect to I and applying the initial condition (3.6.41 ). A ltogether, these imply that (3.6.50) To prove (III)-( V) in the general case, we need only observe that F;(t , z, CY-l» + Hi Jan2 cfk-l ) E Cal2•a [[0, T] x A x Rn(J) , R"(J) ] from (i)-(v). In the case of (III), we note lhat for components i, where !lJi > 0, by the same arguments as above using Theorem 3 . 1 .2. In the case of (IV), we note that for components i, where !lJi = 0 and u · vcfk) = 0 . C(k) ( ) - C lI F ( ' C(k-l ) I'l f ( k- l) ( , )d ' , I , Z - i O + 'i I, z, J' + i ci I, x, Z I . , • 0 aQ2 (3.6.51) (3.6.52) 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 72 exists and is unique by the Holder continuity property of F; (t, z, CY-I» + /-Ij Lil2 dk- I) in t and z. By the same argument as for the proof of ( I I) , we see that (3.6.53) In the case of (V), we see that by (H5) and (H6), z(t, to, zo) and Yj(t, 0, YiO; zo) are unique solutions of (3.6. 1 6) and (3.6. 1 8), respectively, on [0, T] . Choose YjO = Cjo(zo) and note that if z = z(t , 0, ZO), then because of uniqueness, Zo = z(O, t, z). Also, the solution (z(t, 0, zo), Yj(t, 0, YjO; ZO» of the systems (3.6. 16) and (3 .6. 1 8) is a characteristic equation of (3.6. 1 2). Hence, for each solution of (3.6. 1 6) and (3.6. 1 8) , we have (3.6.54) and consequently, c[k)(t ,z) = li (t, 0, Cj o (z(O, t , z»; z(O, t, z» . (3.6.55) Now by using assumptions (A5) and (A6) , it is easy to show that c[k) (t , z) defined by (3 .6.55) satisfies (3 .6 . 1 2) . To show uniqueness of solutions of (3 .6. 12), we suppose, that cg) and cg) are two solutions of (3.6. 1 2) on [0 , T1 x if. By Theorem 3.2.9 (Strong Comparison Theorem) Cor first order partial differential equations, we see that cflk) � cg) � Cflk) and therefore Cflk) coincides with cg) . The Hlllder continuity of Cfk\t, z) is obtained by examining the characteristic equations (3.6. 16) and (3.6. 1 8) , so that (3.6.56) Finally, we show that (fj , �j ) and (Cj , Cj ) are lower and upper solutions of (Cj(k) , Cfk) . To show that (Cj , Cj ) is an upper solution of (cfk) , dk) , we need only observe that D· �(C - c(k » ) + H (c· - c(k» = fJ.(C - C(k-I» > 0 on (0 T]xaf22xA I an " ' " I I I - , . , a - (k) 2 - (k ) - (k) - (k) -(c- C ) - !f)V (C-C· ) + U · V(C - C· ) + /-J.d(C -C ) at " , " " ' " > F· ( C- · ) - F· ( C(k- I) I-I.! ( - _ . (k-I» - , t, z, J ' t , z, j + , c, c, (Jil2 � 0 in (0, T]xA, since.t and Fj are monotone nondecreasing in Cj and Cj, respectively. We may therefore apply the maximum principle for the parabolic operator or Theorem 3 .2.3 (Strong Comparison Theorem) for ordinary differential equations or Theorem 3.2.6 (Strong Comparison Theorem) for iirst order partial difCerential equations to conclude that (Cj , Cj ) � (cfk) , dk) ) . Similarly, (fj , �j ) may be shown to be a lower solution of (cfk) , dk) and the theorem is complete.D 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 73 To start off the i lerative procedure, we need some continuity properties of (fj , qj ) and (Cj , Ej) . The properties of the mapping ff, from (c;k-I ) , CY-I» into (cfk) , Cfk) are then given by the following lemma. Lemma 3.6.6. Consider the IBVP (3.6.8)-(3.6 . 15) and suppose that the assumptions (// ] )-(//4) hold. Let there exist (fj , qj) and (Cj , Ej ) which are lower and upper solutions respectively of Sn, Bn. Assume that (i) For components j E I, where Dj, IIj > 0, fj ' Cj E ct+ a/2.2+a.a r(O, T] x .Q x A , Rn( l ) ] ; (ii) For components j E /, where D j = IIj = 0, Cj ' Cj E Cl +a/2.a.IX r (O, TI x .Q x A , Rn( l) I ; (iii) For componenH j' E , where 9) . > 0 C · E E CI +ll/2.2+a [ (0 T J x A Rn(J) J ' • . , j ' -J ' J ' " (iv) For componentS j' E J where 9) · = 0 u · VC(k-l ) "" 0 C . E ' E C I+a/2. I +a [(0 T] x A Rn(J) ] , j ' ) T- , -J ' J " , and assumptions (HS)-(/-/6) hold; (v) For components j E .I, where 9)j = 0, U · VCY- 1 ) == 0, 9.j ' Ej E CI +a/2. ll r (O, 'f' l x A , Rn(J) ] . Then the mapping ff,from (C;k- I ) , C;k-l» to (Cfk ) , C?) possesses the following properties: (II) !Yis a monotone operator on the intervals I fj , Cj I and I �'j , Ed . Proof We first consider the case when Dj' 9)j > 0 for all components j. The natural imbedding of ct+aI2.2+a.a [ (0. '!'] x D x A , Rn(l) 1 in to C1•2•a [(O, T l x D x A , R"( I ) 1 and C1+a/2.2+a r(O, Tl x A , Rn(J) 1 into CI•2 1 (0, 'J' 1 x A , R"( .I ) I impl ies I hal (;.j ' Ej E C'·2,11 1 (0, TJ x !2 x A , Rn( l ) 1 and 9.j ' Ej E C'·2 1 (0, 'I'J x A , Rn( J ) I . The boundedness of Q and A , together w ith the fact that their boundaries belong to C2+a, shows that, if c;k- I) (t , x; Z)E C1•2 [(O, T l x D , Rn(l) ] (with A treated as a parameter space) and C;k- I ) (t , Z)E CI•2 [(O, T] x A , Rn(J) ] , then c?-I) (t , x; Z)E Wd·2 [(O, T] x .Q , Rn( l ) ] (with A treated as a parameter space) and C;k-I)(t , Z) E Wd·2 [(O, T] x A , Rn(J) ] for q > 1 . From Lemma 3 . 1 .5 , we may take q to be identical in both cases. Thi s , in v iew of Theorem 3 . 1 . 1 ( Imbedding Theorem) , y ie lds that c;k-t) (t , x; Z)E C(\+a)/2.1+a [(O, T] x Q , Rn( l ) ] (with A treated as a parameter space) and CY- 1 ) (t , Z) E C(\+a)/2.1+a [(0, T] x A , R n( J » ) . From Lemma 3 . 1 .3 , a may be chosen to be identical in both cases. From arguments s imi lar to that shown in the proof of Lemma 3 .6 .5 , we see that c;k-l ) (t , x, Z)E C(l+a)/2,1+a.a [(0, T] x D x A , Rn(l » ) . It is immediate that the proof of (I) fol lows from the choices (C !Y(c(.o) C(O» ) = (c(l) CP» ) and i f J ' J J ' J I ' I - J ' J I ' I (c(.o) dO» = (c C . ) then (c(O) C(O» < !Y(c(.o) C(O» = (cP) C(I) We have in fact proved that the J ' J -J ' -J I ' I - J ' J I ' I ' , mapping fTmaps intervals [fj ' Gj ] and [9.j ' Ej ] onto themselves. 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 74 To prove (II), let Cjl ' ej2 E lej ' Ej l and Cjl , Cj2 E I {j ' Ej 'l where (Cjl , Cjl )� (Cj2 ' Cj2 ) for all components j. We want to show that ff(cjl , Cjl ) � ff(Cj2 , Cj2 ) . Let (Uj , Uj ) = ff(cjl > Cjl ) -ff(cj2 , Cj2 ) . Then the monotone nondecreasing property o f f; and Fj implies that au · 2 -t-D/VxUj = f;(t , x, Cjl ) - fi (t, x, Cj2 ) � 0 in (0, nx.QxA, au· D·-I + fl u · = f/.(C·I - C -2 ) > 0 on (0 nxaf22xA , an " " I - , , (3.6.57) (3.6.58) and from the maximum principle for the parabolic operator or comparison theorems for ordinary differential equations or first order partial differential equations, (Uj , Uj ) � 0 or ff(cjl ' Cjl ) � ff(Cj2 , Cj2 ) . This shows that .o/'is a monotone operator on the intervals [fj , Cj 1 and r�j , C; J . O The monotone operator ff will play a central role in the iteration scheme. Remark 3.6.5 Iff; and Fj are strictly monotone increasing in Cj and Ci' respectively, then by Theorem 3 .2. 13 (Generalised Strong Comparison (Contact) Theorem) , ff(cjl , Cj l » ff(c:j2 , Ci2 ) , (unless ff(cj l , Cjl )= ff(cj2 , Cj2 ) in which case the right hand sides of (3.6.57) and (3.6.59) are identically zero; but th is happens only if (Cil , Cil ) =(ci2 , Cj2 ) , from the strict monotone property off; and Fj). We say that the monotone operator .o/' is monotone operator in the sense of COLLA TZ [76], i .e., (Cil , Ci l ) � (ci2 ' Cj2 ) implies that ff(Cil ' Cjl » .o/'(Cj2 , Cj2 ) · Remark 3.6.6 If f; and Fj are monotone nonincreasing in Cj and Cj, respectively, the operator ffis alternating on the intervals [fj , cd and [C , Cjl in the sense that (Cil , Ci2) � (Cj2 , Cjl ) implies that ff(cil > Cj2 )$ff (cj2 , Cjl ) . To prove this, let (Uj , Uj ) = ff(cjl , Ci2 ) - ff(Cj2 , Cjl ) . Then the monotone non increasing property of/; and Fj implies that a a�j -DiV;uj = !; (t, x, Cjl ) - !; (t, x, Ci2 ) � 0 in (0, 71x.QxA, au· D -' + f1.u · = i-J . (C·I - C-2 ) < 0 on (0 nxaf22xA ' an " " I - , , (3.6.60) (3.6.61) CJU· 2 f _I -g)V U +u·VU +flSIfU =F(t z C -I )-F(t z C -2)+H CI -C '2 � ° in (0, 71xA, (3.6.62) CJt I I I I I I " J I ' ' J I an2 I I and from the same argument as before, using the maximum principle for the parabolic operator or comparison theorems for ordinary differential equations or first order partial di fferential equations, we see that .o/'(Cjl , Cj2 )�.o/'(Cj2 ' Cjl ) · I t is necessary to choose a proper initial iteration to ensure that the sequences ((C� k ) , Cj(k» ) are monotone sequences t.hat converge to the unique solution of Sm Bn and are within t.he intervals [fj , cd and [C , Cd . From Lemma 3 .6.6, it i s obvious that the monotonicity of these sequences obviously depend on the 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 75 monotonicity of Ii and Fj and the initial iteration is taken to be either an upper or a lower solution which is required to satisfy cerLain inequalities on the corresponding system. We may therefore use the initial iteration (c/O) , �(O» = (Cj , Cj) to construct the sequence ( c?) , �(k» } from the following equations dC,(k) _' __ DS12c�k) = r et x c(k-I» in (0 T]x.Q x A at I x I J i ' , } ' , d-(k) D'�+H-c�k) = H,C,(k-l) (0 llxd.Q2xA ' an I I I I ' , -(k) �-95.V2C,(k) + u ' VC(k) + II 'siC.(k) = F(t z C�k-I » + ff . J C�k-I) in (0 llxA dt 1 1 1 1 1 I " J 1 iJil2 'I " or the sequence (Cdk) , k�k» } with (dO) , k�O» = (fj , �, ) may be determined from the equations dC(k) _-_' __ D,V2 c(k) = r et x /k-I» in (0 T] x.Q xA at ' x -I J i , ' -J ' , d (k) D �+ H,c(k) = H -C(k-I) (0 llxd{22xA I an I -I I -I ' , dC(k) -=.L_ 95.V2C(k) + u , VC(k) + ff .siC(k) = F(t z c(k-I » + H f c(k- I) in (0 llxA. dt 1 -I -I 1 -I I " -1 1 iJil2 -I ' Note that the sequences ( c?) , �(k» } and ( dk) , k�k» } may he obtained independently of each other. As in Lemma 3.6.5, uniqueness and existence of the sequences ( c?) , �(k» } and ( f�k ) , k�k» } fol low from similar arguments for uncoupled scalar systems of nonhomogeneous l inear parabolic differential equations, ordinary differential equations or first order partial differential equations by using the monotone properties of Ii and Fj. Definition 3.6.2. Th {( (k) C(k » } d ( -(k) C-(k» } ' th ( (0) C(O» - ( C ) d C-(O) C-(O» - ( - C- ) e sequences fj ' _j an Cj , j WI fj . _I - fj . _j an Cj ' j Cj . j . are called minimal and maximal sequences, respectively. We say that (kj , () and (Cj , �) are minimal and maximal solutions respectively in the regions [fj , c, ] and [�j , C\ ] , if for any solution CCj' C) of Sn, 8n where fj $; Cj $; Cj and �j $; Cj $; Cj , then fj $; C j $; Cj and kj $; Cj $; �. From Lemma 3 .6.6 together with the monotonicity of f!r, we shall show that the sequence ( c(k) C(k» ) with (c(O) C(O» = (c C ) is monotone nondccreasing and the sequence {(c�k) E(k» )with _I t _I _I ' _I _I ' _I , ' I (c/O), �(O» = (Cj , Cj) is monotone non increasing. Furthermore, Cfj ' �j ) $; CCj , Cj ) results in cdk) , k�k» $; (C?) , �(k» for all k and pointwise l imits (fj ' kj) and (Cj , �) exist. This is all done in the following lemma for Sn ' Bn , The only difficulty arises for components i E J, where !i'j = 0, u ' VCj(k) ¥ 0, and in this case we will have the following additional assumptions: dF; , d ' , a; eXists an IS contmuous; (Hg) dF; , d ' , -- eXIsts an IS contmuous; de . 1 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 76 I t has been shown in Lemma 3.2.2 and Lemma 3 .6.4 that our assumptions (H I ) of Lipschitz continuity properties and (H2) of Holder continuity properties for the functions Ii and Fj imply similar Lipschitz and Holder continuity properties for the functions L, ]; , Ej and F; . It can also be shown that similar properties hold for our assumptions (H7)-(Hs) of differentiabil ity properties for the functionsli and Fj . Lemma 3.6.7 Suppose in addition to the assumptions of Lemma 3.6.6, that (({;Y) , [�k» } are minimal sequences and ((i::lk) , C;(k» } are maximal sequences. Also, assume that for components i E J, where 9>j = 0, U · VC;(k) , u · V[�k) $ 0 , that assumptions (H7)-(Hs) hold. Then �j $ [�O) $ [�I) $ . . . $ [�k) $ �(k) $ . . . $ �(I) $ �(O) $ Cj for (t, z) E (0, T] x A , for all k = 1 ,2, . . . and the pointwise limits . « k) C(k» - ( C hm fj ' _j fj ' _j ) , k--'too I· (-(k) C-(k» - (- C-) 1m Cj ' j Cj , j , k--'too exist , implying that for all k = 1 ,2, . . . Proof Let (Uj , Vj) = (Cj(O) -cP) , C;(O) - C;(\) = (Cj-cP) , Cj-�(I» , for all i. Then by definition 3.6.l of upper and lower solutions and definition 3 .6.2 of maximal sequences, the fol lowing inequalities will hold dUj _ D V2u . = dej _ D.V2 c.- I'. (t X c·) > ° in (0 T]x.QxA dt 1 x 1 dt 1 x 1 J j , , J - , , D dUj + f-1 .u . =D �(e.-c(I» + ff . (e -c(I) = o. dej + ff . (e. - C. » O on (0 TJXd.Q2XA , an l J I an '" ", I " , ', I an I I I - , , dU 2 dC· 2 - - - - f _I _ �V U + u · VU +H . .9fU· = [_I - �V C· + u · VC·+ fl.srlC. ] - [F (t z C - )+H · c· ] dt 1 1 1 1 1 dt 1 1 1 1 1 I " J 1 df22 1 � ° in (0, T]xA, with similar inequalities holding in the boundary and initial conditions. We first consider the case when Dj' 9'Jj > ° for all ). We see that from Lemma 3. 1 .8 (Maximum Principle) for the parabolic operator that (Uj , Vj ) � 0 , i .e. Cj(O) � cP) on (0, T] x.Q x A and E,(O) � E;(\» on (0, T] x A . This result also fol lows from the monotonicity of fT, since i f (Cj , Cj ) � (clO) , E;(O» , then S'(Cj , Cj ) � tJr(-c (O) C-.(O» = (-c(l ) E(\) and (c(O) C.(O» > (c.(I ) C(I» if we let (c.(O) E(O» = «(5 C·) . J , ' I I ' I , ' J - , ' I I ' I P I 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 77 ._- -- _. __ ._-_ ... _------_._----- Therefore, from Lemma 3 .6 . 5 , we conclude that CP)E C l +a/2, 2+a, a [(0, T] x .Q x A , R n(l) ] and C;(1) E C I+a/2,2+a [(0, T] x A , Rn(J ) ] . By natural imbedding th is impl ies that CP) E CI,2,O [(0, Tl x .Q x A , Rn( l ) ] and C;(I) E Cl,2 [(0, T] x A , Rn( J) ] . AlI the other possible cases are treated similarly so that (i) (ii) (iii) For components i E I, where Dj = Hj = 0, CP)E CI,o,o [(O, T] x .Q x A , Rn( l )] , For components i E I where 9>. = ° u · vE(I ) ,± ° E(t) E cl,t [(0 T] x A Rn( J) ] t " , r " " , For components i E I where 9>. = ° u · VC(I) == ° C,o) E Cl,o reO T] x A Rn( J » ) , I , , ' I " . In the case of (ii i) , we see that z is treated as a parameter. If (H7)- (Hg) are assumed, i t then folIows from standard results on ordinary differential equations which depend on parameters (HARTMAN [ 1 1 9 , p. 95-99] that C;( I ) will be continuously differentiable in z. Therefore, if (H7)-(Hg) are assumed then in alI cases for components j E I, CP) will be continuously di fferent jab Ie in z. Furthermore, in alI cases for components i E I, where Dj , H j > 0, it can be demonstrated from ( 3 . 6 . 1 0) that cf) wilI also be continuously differentiable in z. We may similarly show using by the definitions of upper and lower solutions and of minimal sequences, that dO) ::; dl) and (;,\0) ::; �\l) . Now let (Uj , Vj ) = (cP) -dl) , C;(l ) - (;,\ 1 » . Then the monotone nondecreasing property of/; and Fj implies that aUj _ D , 02 . = � ( -�O» - �( (.0» - �( - . ) - � ( . » 0 ' ( 0 1'J �, A al · v xU. Jj I , x, C, J j I , x, f, Jj I, x, C, Jj I, x, f, _ to , x .. ""'.11 , au ac(l) ac(l) D· -j + H _u · =[D -j- + H·c�I) ] - [D- -=L.. + H -c�t) ] = H - (C,(O) - C �O» = H ·(C -C - » O on (0 TlXail2XA • an • • • an • • • an • -. • • -. • • -' - , • J , aVj - 9>.V2v. + u . VV. +HS'IU. =F(1 z C ) - F (I z C - ) + H .J (c - c · » O in (O llxA al • . . . . . , ' 1 . " -1 • an2 • -. - , , and it follows from the monotonicity of [if, that (f�l) , �P » ::; (cP ) , E;(t» , implying that and Assume, by induction, that for k= I , . . ,m . 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 78 The only difficulty arises for components i E J, where 9Jj = 0, U · VE;(k) $0 and in this case we cannot assume that in general , that the assumption (H6) will be satisfied. However, in this case we assume (H7)­ (Hs) hold so that C?-l) and CY-2) will be cOnLinuously differentiable in z for all } by earlier arguments. Thus for componenLs i E I, where Dj, Hj > 0, it can be shown that c�k-l) will be continuously differentiable in z from (3.6. 1 0), so that by assumptions (H7)-(Hs), Fi(l, z, c;k-t» + Hj fan c?-l) will be continuously differenLiable in z. For components j E I, where Dj = Hj = 0, we see that in thfs case by assumptions (H7)­ (Hs), F;(l, z, C?-l» will be continuously differentiable in z. It then follows that (HARTMAN [ 1 19 , pp. 95- 99]) assumption (H6) will be satisfied in the general case. The functions (Uj , Vj ) = (Cj(m) - c/m+1) , E;(m) - E;(m+l» and the monotone nondecreasing property of Ii and Fj implies that aUj _ D n2 . - F ( -�m-l » _ F ( -�m» > O ' (0 1'J "" A al 1 v XUI - JI t, X, C] Jj t, x, C] _ In , X ':A.f1, a a-(m) a-(m+l) D . .-!i + IIu = [D -C-j -+I-J .c(m) ]- [D . Cj +f-J .c(m+I)] = If .(C(m-I) _ C(m» > 0 on (0 T]xa!hxA 1 an 1 1 1 an 1 1 1 an 1 1 1 1 1 - , , with similar inequalities in the boundary and initial conditions. This ensures that C-. c-. C-:(m+l) , - , , - " from the monotonicity of .0/' and proves that {(c?), E;(k» } with (cj(O) , E;(O» = (Cj ' Cj) is a monotonic non increasing sequence. I t follows from a similar induction argument that {(dk) , k�k» } with (d!l) , k�O» = (fj , �j ) is a monotonic nondecreasing sequence and by a similar induction argument C?-I) � ��k-I) and E;(k-I) � h�k-I) for k=l , . . . ,m ensures that clm+1) � f�m+l) and E;(m+l) � k�m+l) . The following inequalities then hold for all k = 1 ,2, . . . I t follows from the monotonic property of our maximal and minimal sequences, its boundedness by (fj , �j ) and (Cj , Cj ) and the monotone convergence theorem that the pointwise limits I· « (k) C(k» - ( C ) 1m fl ' -I - �j , _j , k�oo I · (-(k) C-(k» - (- C- ) 1m Cj ' j Cj , j , k�oo exist, implying that c � ��O) � k� l) � . . . � k�k) � . . . � kj � E; � . . . � c,(k) � . . . � c,(1) � c,(O) � Cj for (t , z) E (0, 1"] X X, for all k = 1 ,2' 0 0 .0 -��----------- 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 79 3.6.3 Existence of Solutions It can be shown that our minimal and maximal sequences ( dk) , ��k» } and ( e?), �(k» } converge not only pointwise but converge uniformly (in appropriate function spaces) as well . The fol low ing theorem is an existence theorem for solutions to the system Sn ' Bn . Theorem 3.6.1 (Generalised Existence Theorem) Let the assumptions of Lemma 3.6.7 hold. Then the minimal and maximal sequences ((f�k) , ��k» } and ((c?), C;(k» ) converge monotonically and uniformly from below and above to (fj ' �) and (Cj , C;) respectively, where (fj ' £2j) and (ej , E; ) are solutions of Sn ' Bn ' Moreover (fj ' £2j) and (ej ' E; ) are minimal and maximal solutions respectively of Sn ' Bn in the regions [fj , Cj ] and [qj , Cd and b y uniqueness (fj , C ) =(ej , E; ) . Proof We first consider the case with Dj, 9Jj > ° for all i. Let dk), Cj(k) E Cl+aI2.2+a.a[(O, T] X .Q x A , Rn(/) ] and £2�k� C;(k) E Cl+aI2.2+a [(0, T] x A , Rn(J)] for k = 1 ,2, . . . and let us consider the maximal sequence ((Cj(k) , C;(k» ) . We note that Cl+aI2.2+a [(0, T]x.Q, Rn(I)] CW�;2 [(0, nx.Q, Rn(/)] and CI+aI2.2+a [(0, T] x A , R n(J)]c W�;2 [(0, T] x A , Rn(J) ] for P I � (ml+2)/( I-a) and P2 � (m2+2)/( 1-a) . From Lemma 3 . 1 . 1 . lhis implies that C1+al2,2+a[(O, T] xQ, Rn(/) ] �W;·2 [(0, T] xQ, Rn(/) ] and C1+a/2,2+a [(0, T] x A , Rn(J) ]!:;;; w�·2 [(0, T] x A , Rn(J) ] , where q = min (P l , P2) . By Theorem 3 . 1 .4, we see, lhat e?) (with A treated as a parameter space) and E;(k) satisfy the fol lowing Agmon-Douglis-Nirenberg estimates (see Theorem 3 . 1 .5): and II c?) I Iw? 1 (0, T]xn. RoCI ) 1$ C(II!;(t , x, cY-1» I IU I(O, T]xn. R°(l) ] I IC-(k-I ) U + j W;I2-1I2Q,I-I/q [(O, TjxBf.!I , Ro(l) j + II Cj.o"W;-2/Q [n, R0(l) j ) ' I IC-(k) 1 1 < C(II F (t C-(k-I) f -(k-I) I I j w?[(o. TJxA. ROc/) )- j , Z, j + Bf.!2 Cj U [(o. TjxA, RoCJ» ) + Ilci.l llw�/2-1/2Q'I-I/Q [(0. T)xBA1 • RO(/) ) + I ICj.o l lw;-2/Q [A. RO(J» ) ) ' (3.6.63) (3.6.64) The fact that e(k-l)E [c · c ) and C�k-l)E [C - C ) i e e(k-I) and C�k-l) are bounded the continuity of 1'. J -J ' J J -J ' J ' . . , J J ' J I and of Fj imply by the continuity and boundedness of the Nemytskii operator (Lemma 3 . 1 .6) that the sequences ( h (t, x, eY-1» ) and (Fi(t, z, CY-1» + Lili e?-I») are unifonnly bounded in C[(O, 1'] x.Q , Rn(l) ] (with A treated as a parameter space) and q(O, T] x A, Rn(J) ] respectively. Since C[(O, T] x !2 , Rn(l)J and C[(O, 'J'j x A . Rn(J) J are dense in £11(0, 'J'] x !2 , Rn(l)J and Lq [(O, T] x A , Rn(J) J respectively, i t fol lows by the continuity and boundedness of the Nemytskii operator (Lemma 3 . 1 .7) that ( h (t, x, eY-1» ) and (F;(t , z, CY-1» + Lf.! e?-I») are bounded sequences in U[(O, T] x .a, Rn(l)] (with A treated as a parameter space) and £1[(0, h x A , Rn(J)] , respectively. This, together with the above estimates (3.6.63) and (3.6.64) shows that the sequences Ie?») and {E; and (C,. , C;) are solutions of Sn ' Bn . 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 82 For components j E I, where Dj = Hj = 0, the uniform convergence of sequences (c?) } to solutions f.j and Cj is standard (HARTMAN [ 1 1 9] , LAKSHIMIKANTHAM [ 1 57]). The sequence of approximations (3.6.8) are uniformly bounded and equicontinuous and hence possesses uniformly convergent subsequences. The rest of the argument follows along similar lines to that already discussed. The case for components i E J, where 9Jj = 0 and u· VC}k) == 0 is similar as is the case for components i E J, where 9Jj = 0 and u· VC?) '1= O . Now we show that (fj ' �: ) and (Cj , C;) are minimal and maximal solutions o f Sn ' Bn . Let (Cj, ci) be any solution of Sn ' Bn such that f.j � Cj � Cj and G � Cj � Cj . Since (Cj, Cj) = f/{Cj, Cj), it follows by Lemma 3 .6.6 and from the definitions of ( f�k), ( clk� C;(k) )} , that implies that ( C ) < /JT( (0) C(O» < ( . C ·) - (JIf . C ·) < trr(-(O) C-(O) < (- C- ) fi ' ,.... i - i7 fi ' -I - e" , - ",C" I - v ci ' i - Ci t i ' Let us assume that for some m > 1 , Then we shall show that ( (m+l) C(m+ l» < (c . C .) = (-(m+l) C-.(m+l» f., ' _I - I, I C, ' I • From Lemma 3 .6.6 (II) and from the definitions of ( dk� dk))} and (Ull C;(k) )} , we arrive at (C�m+l) c�m+l» = f/(c�m) C(m» < (c ' C ·) = (JIfc ' C ·) < f/(c.(m) c.(m» = (c�m+l) C.(m+l» _, ' _I _I , _, - h ' ..,-\ h , - ' " ' " • Thus, it follows by mathematical induction that (C�k) C\k» < (c C) = (c.(k) C.(k» ) -I ' -I - '" , ' I ' for all k = 1 ,2, . . . Hence, we have proving that (fj ' �j ) and (Ci , C;) are minimal and maximal solutions of Sn ' Bn ' Finally, by uniqueness results demonstrated in section 3.3, (fj , �j )==(Cj , C;) .O For the general system Sn ' Bn , which may possess no monotone propertjes, the following theorem fol lows from Theorem 3 .4. 1 and summarises how we may set up monotone sequences for this general system which converges to a solution of a new systcm which rclates in some way to the solution of the original system Sn' Bn · 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 83 Theorem 3.6.2 The general system Sn. Bn for which /; and Fi satisfies Lipschitz continuity properties (H 1) and Holder continuity properties (H2). may be imbedded in a system Sin . Bin of twice the order which is coupled by monotone functions j;" and F/ of the new dependent variables Vi and Vi. Moreover. all the solutions (Ci . Ci) of the general system Sn. Bn are solutions of the new system. where Vi =ci. Vn( /)+i = -Ci for i= l . . . . n(l) (3.6.69) and Vi = Ci• Vn(J)+i = -Ci for i= l . . . . n(J). (3.6.70) Let (Yi . Y;) and (Vi . v,. ) be lower and upper solutions for the system Sin . Bin with continuity properties given in the assumptions of Lemma 3.6.6. Let also the assumptions of Lemma 3.6.7 hold for the system Sin . Bin . Then the minimal and maximal sequences {(��k) , 1:::�k ) } and {(vi(k) . v,:(k) } of Sin . Bin given by Theorem 3.6.1 converge monotonically and uniformly from below and above to (�i ' 1:::i ) and (Vi . v.:) respectively. where (�i ' L) and (vi . v.:) are solutions of Sin ' Bin satisfying the following inequalitites for all k = 1 ,2, . . . Wi = Vi + vn(l)+i = 0 in QxA, at t = O. a;i -DiV;Wi = f;*(I , x, Vj) + fn(/)+ i (t . x, vk ) in (0, Tjx£2xA, aw· an' = 0 on (0. Ilxa.QlxA, aw Di an' -Hi (Wi -wi) = ° on (0, Ilxa£22xA, a::- 9W;Wi+u'VWi = Ft(t, z, V,· ) + Fn(J)+i (t, z, Vk ) - Hif (Wi - Wi ) in (0, IlxA, ot . iHl2 VI Wi + !l! �Wi = 0 on (0. TJxaAI . onl aWi = 0 on (0, TJxaAa, a = 2, 3, ana (3.6.73) (3.6.74) (3.6.75) (3.6.76) (3.6.77) (3.6.78) (3.6.79) (3.6.80) for (wi , Wi) = (vi + vn(l)+i ' Wi + Wn(J)+i ) generates the unique solution (fi ' C) == (Ci , E;) == (Ci , Ci ) of the general system Sn . Bn , where 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 84 for (I, x, z) E (0, T] X.Q x A , for (t , Z) E (O, T] x A, for all k = 1 ,2 .. . . We have shown in this section that if the reaction functions obey a monotone property . our sequence of approximate solutions is a monotone sequence that converges uniformly and thus our limit function is actually a solution of the given problem. Although a number of existence-comparison theorems for weakly coupled parabolic systems have also been known and can be established by various other methods such as the functional analytic approach of KUIPER ( 149) and in connection with invariant sets (BEBERNES el al. [35-37)). the monotone argument is more constructive and provides a simpler and straightforward proof than the other methods. The definition of upper and lower solutions with the monotone argument is however more restrictive (BEBERN IlS and SCHMITr [37]). It must be noted that it is also not the only way of obtaining a constructive existence proof. Our existence theorem in this section relies on solving quasilinear parabolic differential equations by monotone iteration. The iteration could alternatively have been done by successively applying a monotone integral operator with an appropriate Green's function as its kernel. This procedure also starts with a lower and an upper solution (BANGE l33J) . Furthermore. these same approaches can be used to obtain a similar existence-comparison theorem for the time independent problem simply by dropping the time derivatives and the initial conditions. This will be discussed in a chapter four when dealing with the existence of a steady state solution. Remark 3.6. 7 In many cases, we will require for practical reasons that the functionsJi and Fj be redefined for Cj' Cj < ° so that if and {fi(/. X. Cj) ,+ I x c ' = fi ( , " , ) fi (t . x, 0) , + , _ {Fi(/ . z. C) Fi (/ , Z . C, ) - Fi(/ , z, 0) for cj :2: 0 ror cj < O, for Cj :2: 0 for Cj < 0, then it can be shown that these new functions have the same Lipschitz and HOlder continuity properties as our original functionsJi and Fj. Remark 3.6.8 In this section we have shown lhal lhe imbedding resulLs of seclion 3 .4 may be used lo oblain existence theorems for systems of equations with nonmonotone reaction functions. The imbedding results do not need boundedness nor does it need the additional Holder continuity properties that we have assumed for our 3.6 EXISTENCE OF SOLUTIONS TO THE UNSTEADY STATE PROBLEM 85 system. This additional continuity property was only needed in order to establish the existence of solutions of a corresponding l inear system. Suppose we prove that any solution of the system Sn, Bn must be bounded by some constant K. Change then the definitions of fi(t, x, Cj) and Fi(t, z, Cj) for Icj l , ICjl > K , for instance by defining and � {J:(t, X, Cj ) for I c/ : ; K J:(t, x, Cj ) = 1'. ( + K) " + K ), t , X, _ lor _ Cj > , � {F;(t, z, Cj) for IC/::; K F(t z C . ) = , ' ' J F·( + K) f + C K , t , z, _ or _ j > . If we are then able to prove the existence of a solution (Ci, Cj) for the problem Sn, Bn with l(t, x, Cj ) and F;(t, z, C) given above, then (Ci, Cj) is also a solution of the original problem Sn, Bn . The same is true of uniqueness. We also note that these new functions satisfy the same Holder continuity properties that are required in section 3 .6, as our original functions. It is common to use functions such as these new functions for proving uniqueness and existence theorems given that we have upper and lower bounds particularly for functional analytic existence proofs (FRIEDMAN [94, p.203] , BEBERNES and SCHMITT [35] , LADDE et. al. [ 1 53]) . These bounds do not necessarily have to be constants K as in the above equations but may be arbitrary functions with the appropriate continuity conditions. Remark 3.6.9 We can choose and C-· = C-· = AeRI " ' where A is a constant determined from the boundary conditions and R is, as yet an unspecified constant so that -AReR1-J:(t, x, -AeR1 ) $ O , AReR1-J:(t, x, -AeRI ) � O , -AReR1-F; (t, z , - AeR1) $ O , AReR1- F;U, z , -AeRI ) � O , and we can easily satisfy the above inequality since fi and Fi are Lipschitz in Cj and Cj, respectively by choosing R sufficiently large. This demonstrates the existence of suitable lower and upper solutions (fi ' fi) and (ci ' Ci ) respectively. Remark 3.6.10 The constructive methods of proving existence results for problems in this section can also provide numerical procedures for the computation of solutions which are of greater practical value than the theoretical existence results. By replacing the differential system by a suitable finite difference system (which is a discrete version of the continuous problem) and using an analogous definition of upper and lower solutions, it is possible to construct monotone sequences which converge monotonically to a solution of the finite difference problem (GROSSMAN [ 1 1 1 1 , GROSSMAN and Roos [ 1 1 0 1 . PAO 1 2 1 9-2221) . 3.7 NOTES AND COMMENTS 86 The asymptotic stability and multiple steady states may also be studied in the framework of this finite difference system (PAO [222]) as well as error estimates between the true solution and the computed mth iteration (PAo[22 1 ]) . It is obvious that these numerical procedures may be applied to the system Sn, Bn which may obey no monotone property. The discretised functional term in (3 .6. 1 2) is expressed as a summation. From the type of nonlinearitiesfi and Fj, an iterative scheme may be considered which accelerates the rate of convergence of the sequences of iterates defined in (3.6.8)-(3.6. 1 5) . This involves solving coupled systems of linear equations and thus fewer equations (LADDE [ 1 5 3 , p . 1 7 1 ] ). It is useful in speeding up numerical convergence. An example of another process which is useful in speeding up numerical convergence will be seen in section 6.3. Remark 3.6.11 Equations Sn ' Bn have been chosen with bioreactor applications in mind, but the theory can be readily generalised in a number of ways. Our proofs are still valid for Di'Y:cj replaced by 'V x . (Dj (x, Cj )'V xCj ) and 9)j'V2Cj replaced by 'V . (!l{ (z, C;)'VCj ) , provided that we have uniform ellipticity conditions for these more general equations. Furthermore, the mass transfer coefficients /-Ij could be functions of x and I, provided that these functions are still positive and satisfy appropriate continuity properties, and a wider class of coupling functions is permissible, since fi and Fj may be permitted to depend on 'V Cj and 'VCj, respectively. However, it is necessary to require a Nagumo type growth condition with respect to these variables. Remark 3.6.12 In this section we have assumed that the boundary conditions (2. l .4) and (2. l .7) are of the Robin type. We may treat the Neumann and Dirichlet type boundary conditions similarly by using appropriate theorems for linear parabolic equations with Neumann and Dirichlet type boundary conditions (see Remark 3 . l .2 and Remark 3. 1 .3) . 3.7 Notes and Comments Sections 3.3-3.5 are adapted from PARSHOTAM, McNAI3B and WAKE [228] and MCNABB and PARSHOTAM [ 1 88 ] . However, most of the proofs for Comparison Theorems in these papers are obtained in a different manner and order. We see from the imbedding results of section 3.4, that many results for monotone systems may be applied to systems which obey no monotone property. Since existence of solutions in our imbedded system (which obeys a monotone property) implies existence of solutions in our original system (which may not obey any monotone property) and vice versa, so does many qualitative properties of solutions. We have seen from section 3 .4 and 3.5 that uniqueness and global stability may be such properties. There are also many other qualitative properties such as bounds, gradient bounds and asymptotic stability which give rise to these properties from one system to the other. We have seen from Theorem 3 .6.2 that bounds on the solution in our imbedded system can give rise to bounds in our original system (it is noted however, that upper and lower bounds need not exist in order for the imbedding results to apply). From these bounds it can be shown that asymptotic stability of the solution in our imbedded system also implies asymptotic stability for solutions of our original system. Other properties of solutions which give rise to these same properties from one system to another are perturbation solutions. It is often easier to obtain a perturbation solution for systems where the nonlineariLies obey a monotone properly (see section 6.5). This could be useful in parameter sensitivity analysis in systems of equations which do not obey a monotone property. 3.7 NOTES AND COMMENTS 87 There are many useful qualitative properties of scalar parabolic and elliptic equations which rely on the monotonicity of the nonlinear reaction functions. Some of these properties may be generalised to monotone systems. The imbedding results of this chapter are useful in generalising these properties to arbitrary systems which do not possess any monotone property. Some of these results could be to show the existence or nonexistence of dead cores, radially sym etric solutions which can occur if the nonlinearities are singular (GATICA el al. [ 1 03] , CASTRO and SIIIVAJI [5 1 ]) , degenerate solutions, nonnegative solutions (CHAllROWSKI [52]) and certain properties of unstable solutions. The imbedding results of section 3 .4 also applies to weak (or generalised) solutions (CI-IABROWSKI [52-63]) and the qualitative properties of such solutions. The imbedding results of section 3 .4 may also be applied to a much larger class of differential equations. It is known that these imbedding results do not hold for certain hyperbolic equations but it is not clear whether it would hold for larger classes of differential equations such as differential equations of the type we have seen which are coupled in their derivatives. It is however known that comparison theorems do exist for such problems (TRUDINGER [286]) and these comparison would be useful if these imbedding results were able to be extended to such a class of equations. It would appear as if we would have to imbed such a nonmonotone system that is coupled in its derivatives several times in order to obtain a monotone system with reaction functions monotone in all its dependent variables and derivatives. It is also not clear whether these imbedding results may be extended to higher order differential equations or even functional differential equations, stocastic differential equations and a more general class of equations. It is known however that comparison theorems do hold for certain classes of causal functional differential equations (MCNABB and WEIR [ 187J) and higher order differential equations (SPERB l27 1 J) and these comparison theorems would also be useful if these imbedding results were able to be extended to this class of equations. In section 3.5, we established some useful conditions for the global stability of the general system Sn, Bn where we assumed at the outset that the system Sn, Bn was a quasimonotone system, i.e. Ii and Fj are monotone nondecreasing in Cj and Cj respectively for j � i. These results could also have been obtained by assuming that Sn, Bn was a monotone system , i.e. fj and Fj are monotone nondecreasing in Cj and Cj respectively for all j. This is not a restriction on the stability results since if this monotone property is not satisfied, we may make the substitution Cj = e -Kx\ Wj and Cj = e -Kz\ Wj , (where XI and z\ are chosen without loss of generality to be the first components of X and z) to obtain a system of the same type but with new functions that are monotone nondecreasing in Cj and C. Note that it is more appropriate in this case to make this substitution rather than Cj = e-K1wj and C1 = e-KI� in studying the stability of our general system. In many cases, the nonlinear functions Ii and Fj need only satisfy a one-sided Lipschitz condition when obtaining comparison theorems and in proving monotone convergent sequences to a solution of the system Sn, Bn (KELLER [ 1 4 1 J , AMANN [5], LADDE el al. [ 1 53J , PAO l 2 1 1 , 2 1 9J). In section 3.6, it can be shown that if fj and Fj satisfies a HOlder condition then locally upper and lower solutions can be constructed and any problem of the system SrI> Bn which has nonuniqueness locally has distinct maximal and minimal solutions (BEBERNES and SClIMrrr [35 J). 4 The Steady State Problem 4.0 Introduction For the study of the stability of the solutions of parabolic initial boundary value problems. one has to have a good knowledge of the steady states, that is of solutions to the time independent problem. In this chapter, we shall look at the steady state system Sn ' Bn , that corresponds to the unsteady state system Sn, Bn. We shall obtain theorems that guarantee existence of solutions to the steady state system Sn . En and establish relationships between the unsteady state system Sn, Bn and the steady state system Sn . En . In section 4. 1 , we shall collect some notational conventions and basic definitions and give some general results and relationships of the spaces that are needed in order to obtain the exact result on the solvability of linear elliptic equati?ns. The Maximum Principle for elliptic equations which will be used throughout this thesis will also be defined. In section 4.2, we see that for the purposes of uniqueness. stability and existence theorems, we may assume at the outset that the system Sn . En is a quasi monotone system. i .c . Ii and Fi are monotone nondecreasing in Cj and Cj respectively for j :;C i. This is not a restriction on these theorems since if this monotone property is not satisfied, then Sn . En with general functionsfi and Fj can be imbedded in a system S2n ' E2n of the same form. It can be shown that solutions of this new system generate solutions of the original system and therefore uniqueness. stability and existence can be implied in the original system but only if uniqueness is guaranteed in the system S2n . E2n . In section 4.3, that solutions of problem Sn ' En specified by Cj, \ exist. This is done by constructing a sequence of approximate solutions which converges monotonically and uniformly to a limit function which is a solution of the system Sn ' Bn . In seeton 4.4 we use relationships concerning the asymptotic behaviour of linear parabolic equations as t -7 00 and their corresponding linear elliptic equations to make a statement about the relationships between solutions of the steady state problem Sn . En and the unsteady state problem Sn, Bn. Finally, in section 4.5 we shall discuss some relevant literature and future work. 4.1 Definitions, Notation and General Results 1'01' Linear Ell iptic Equations In this section, we shall collect some notational conventions and basic definitions. We shall also give some general results and relationships of the spaces that are needed in order to obtain the exact result on the solvability of linear elliptic equations. The Maximum Principle for elliptic equations which will be used throughout this thesis will also be defined. Finally. we shall look at some relationships between solutions of linear parabolic and linear elliptic equations. 88 4.1 DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR ELLIPTIC EQUATIONS 4.1 .1 Definitions and Notation The following notation will be used throughout this section x = (Xl . X2 • . . . . • xm) denotes a point in Rm. � is a bounded. open. connected domain in Rm. iY9 denotes the boundary of �. iff denotes the closure of �. u E R. Dxu = (du/dx l • . . . . • du/dxm) . 1 1 · 1 1 will denote the Euclidean norm in Rm. Definition 4.1.1 89 A vector field Vex) = (V l (X) • . . . . • Vm(x)) is said to be a unit outerward normal (outward normal or outernormal) at x E Q if x - hv E Q for small h > O. The outernormal derivative is then given by dU = lim u(x)-u(x-hV) . dV h-+O h ci."d .J hi) ,'s CI v,n"J- .ed-of nOf,-r>oJ +0 fi- 4.1.2 General Results and the Relationships between HOlder, Lq and Sobolev Spaces The following definitions of H(jJder. Lq and Sobolev spaces are adapted [rom LADYZHENSKAYA [ 154. pA- 5J and GILBARG and TRUDINGER [ 106. p. 144] . Hijlder Spaces For A�Q. a function f: A � R is said to be Holder continuous of exponent a, where 0 < a $ 1 . if there exists a constant Ii = Ii(A) such that If(x)- f(y)l $ lillx- ylla . We note that the quantity Ii�(f)= sup If(x)-f�y)l . x,yeA IIx-yil "Y is the smallest number H. We shall say thatf E Ck+a[A . RJ iff : A -7 R is continuous, the partial derivatives of f. up to order k are continuous on A and the kth partial derivatives are Holder continuous with exponent a. For f E C2+a[A. RJ, we shall use the following notation: where IIfll� "= suplf(t.x)1 +I-I�(f), xeA A A A m m d2 f IIfIl2+a= IIjll1+a+LL dX dX " • 1=1 J=1 1 J a and 4.1 DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR ELLIPTIC EQUATIONS II a if II A I a if I a if - = sup- +H�(-) , aXj a xeA dXj aXj 90 Since iff is closed, it is required that the derivatives up to order k can be continuously continued from the interior of '9 to all of iff . If a = 1 , we also say thatfis Lipschitz continuous. The superscript in the foregoing notions may be deleted if there is no ambiguity on which set the above norms are to be determined. Lq Spaces Lq ['9, R] is the Banach space consisting of all equivalent c1ases of Lebesgue measurable functions u defined on n into R with a finite norm where q ;::: 1 . Sobolev Spaces For nonnegative integer t , W�['9, R] is the Banach space consisting of the elements Lq [" R] having generalised (weak or distributional) derivatives of the form Da for all 101 � t. The norm in it is defined by where the summation Llalsl is taken over all nonnegative integers a satisfying the condition a � t. Note that the space W�[', R] is in a certain sense analogous to the Cl+a [ij, R] spaces. In the W� ['9, R] spaces, continuous differentiability is replaced by weak differentiability and Holder continuity by q­ integrability, so that W�[', R] = {u E Wl[" R]; Dau E Lq [" R] for all lal� I] , where Wi ['9, R] is the linear space of t times weakly differential functions. General Results in HOlder, U,q and Sobolev Spaces We now give some general results in Holder, u·q and Sobolev spaces. Most of these results are special cases of those proved in section 3 . 1 and are only included here for easy reference. Lemma 4.1 .1 If f, g E Ca [A, R] , then f + g E C(x [A, R] and IIf + gl l� � IIfll� + I Igll� . Lemma 4.1.2 If f, g E Ca[A, R] , then fg E Ca[A, R] and l l fgl l� � l I fl l� I Ig l l� . 4.1 DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR ELLIPTIC EQUATIONS The nexl Lhree lemmas and their corollaries are analogous in Holder, U.q and Sobolev spaces. Lemma 4.1.3 Suppose 0 < 13 � a � 1 . Then Ca (A) � cP (A) . Corollary 4.1.1 Suppose 0 < a, 13 � 1 . Then Ca (A) n cP (A) = Cr (A) where r= min ( a, 13) . The following lemma is stated without proof in BURKILL [44] Lemma 4.1.4 Suppose 1 � P I � P2. Then LP2 [A, R) eL!'I [A, R) . Corollary 4.1.2 Suppose 1 � P I , P2. Then L!'2 [A, R) nLPI [A, R) = L!'[A, R) where p = min {P I , P2 ) . The following lemma and its corollary follows from Lemma 4. 1 .4 and the definilion of Sobolev Spaces. Lemma 4.1.5 Suppose 1 $ PI $ P2 ' Then W;2 I A, R I C;;; W� lA , R I . Corollary 4.1.3 Suppose 1 $ P I , P2. Then W�2 [A, R) n W�I [A, R] = W�[A, R] where p = min (P I , P2 ) . As with sec lion 3 . 1 , we define the rollowing openllor which lakes a space inl<> ilSelL Definition 4.1 .1 The Nemytskii operator .A(u) is defined by .A(u)(x) = h(x, u), x E ij, for u E Cl+a[ij, R] . We now presenL a result concerning the Nemylski i opera lor .;1(u) which is a special case of Lemma 3. 1 .6. Lemma 4.1.6 Let h E ca[ij xR, R], and let .A(u) be the Nemytskii operator .;1(u). Then (i) .A"E C[Cl+a[f, R] , ca[f, R) ) ; (ii) .A"takes bounded sets in Cl+a[ij, R] into bounded sets in ca[ij, R] . Remark 4.1.1 91 From the fact that the space Cl+a[f, R) is compaclly imbedded in CI [f, R] the Nemylskii operator belongs to C[ct9, R] , C[ij, R) ) . 4.1 DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR ELLIPTIC EQUATIONS 92 We present another resulL concerning the Nemytskii operator .A(u). This lemma is a special case of Lemma 3 . 1 .7 Lemma 4.1 . 7 Let h E Ca[:f x R, R] , and let .A{u) be the Nemytskii operator .A(u). Then (i) .kE C[Lq [:f, RJ , Lq [:f, R] ]; (ii) .ktakes bounded sets in Lq [�, R] into bounded sets in Lq [�, R] . The Relationships between these Spaces The spaces defined above are needed to obtain the exact result on the solvability of boundary value problems for linear elliptic equations in spaces Wq2[�, R] . Note that an analogous lemma to Lemma 3 . 1 .8 holds for elliptic equations which relates the differential properties of the boundary values of functions from the classes Wi[�, R] and of their derivatives in terms of the spaces W�[a�, R] (see LADYSI-IENSKA YA [ 154, pp.43- 44]) . We say how smooth fuctions in a Sobolev space are, by imbedding Sobolev spaces continuously into Holder spaces. This is often called the Sobolev Lemma or the Imbedding Theorem. We firstly require the following defintion Definition 3.1 .5 Let � be an m-dimensional domain with boundary a�. We say that a� belongs to class C2+a, if for every XE �, there exists a neighbourhood U of x such that � n U can be represented in the form for some i, 1 S; i s; m, where h E C2+a[a�, R] . We now state the following imbedding theorem. For the proof of this theorem, see LA DYZI lENSKA YA [ 1 54, p.60] , GILBARG and TRUDINGER [ 106, p . 1 55] or ADAMS l l j . A similar theorem is given in TEMME [282, p.42] for convex domains with Coo boundaries. Theorem 4.1.1 (Imbedding Theorem or Sobolev Lemma) Let � k: Rm and let a m > q. Then Wq2l�, R] is imbedded in CI+).t l�, Rj , where 0 < Il S; 1 -2/q ; (ii) Suppose m = q . Then Wq2[�, Rj is imbedded in Cl+).t[�, RJ , where 0 < J1 < 1 ; moreover suppose m = q = 1 ; then Wq2[�, R] is imbedded in cI+).t [�, R] for J1 = 1 . 4.1.3 Solvability of Linear Elliptic Equations We will discuss in this section a specific example of a elliptic equation that occurs in this thesis. For the definitions of more general linear and quasilinear second order equations of elliptic type, as well as their uniformly elliptic conditions, see LADYZl-lENSKA YA [ 1 54, p. 1 1 ] . 4.1 DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR ELLIPTIC EQUATIONS 93 Let aij, bi and c belong to Ca [�, R] and let c � O. Let L be a second order differential operator defmed by (4.1 .1) Definition 4.1.3 The differential operator L defined by (4. 1 . 1 ) is said to be elliptic at a point x E �, if the coefficient matrix ajj{x) is positive definite, that is there exist two functions a:. and I such that m o < a:.(x)I I�1I2 � 2>ij(X)�i�j � I(x)I I� 1I2 , i,j=l for all � E Rm - (O ) . If a:.(x) > 0 in QT, then !l! is called elliptic in �. If for a positive number Ao then !l! is called almost strictly elliptic in �. If A (X) < K 1{x) - , (4. 1.2) for some positive number K, then !l! is called strictly uniformly elliptic in '[), that is (4. 1 .2) can be written as �1I� 1I2 � faij(X)C;i� j � KII C; 112 , K . . I ' . J= for all � E Rm, X E �. Let � be a bounded domain in Rn. Letp, q E Cl+a[a�, R] be nonnegative functions which do not vanish simultaneously and let v(x) be the unit outward normal vector field on CJ<9 (which belongs to the class C2+�. Consider the l inear second order elliptic boundary value problem (BV? for short): where, Lu = h(x) in '[), } B u = qJ(x) on a,[), du -Bu = p(x)u + q(x)- for u E Cl['[) , R] . dv (4.1.3) (4.1 .4) . e. Let us now state the c lassical existence and umquenss theorem whose proof can be found in � LADYSHENSKAYA [ 154, p. l37] and GILBARG AND TRUDINGER [ 1 06, Ch 6]. Theorem 4.1.2 Assume that (i) ajj, bj, c E ca['f) , R] , c(x) � 0 and L is strictly uniformly elliptic in '[); (ii) p, q E CIHl[Jn, R] for p and q nonnegative functions and there exists J..Ll>O such that p 2: J..LI for all x E CJ<9; (iii) CJ<9 belongs to class c2+a; 4.1 (iv) h E ca[�, R] ; DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR ELLIPTIC EQUATIONS (v) l/J E Cl+a[a�,R] . Then the linear elliptic BVP (4. 1 .3)-(4. 1 .4) has a unique solution u such that u E C2+a[�, R] . We note that u and all its first and second partial derivatives are bounded in � . 94 The following result provides the global a priori Schauder-type estimates for classical solutions of linear elliptic BVP (4. 1 .3)-(4. 1 .4). For the proof, see AGMON-DOUGLIS-NIRENllERG [3, p.668]). Theorem 4.1 .3 Assume that the hypotheses of Theorem 4.1 .2 hold. Then for any u E C2+a[�, R] , there exists a positive constant which is independent of u such that l Iu l lf+a � C(II Lul l!+ I I Bullr!a ) ' (4. 1.5) (4.1.6) Moreover, if u is the classical solution of the linear elliptic BVP (4. 1 .3)-(4. 1 .4), then (4. 1 .6) reduces to l Iul lf+a � C(I I hl l!+ 1 I l/JI lr!a ) ' (4.1 .7) Remark 4.1.2 If either if the conditions p � J1.1>O or c � 0 is not satisfied in Theorem 4. 1 .2, unique solvability is no longer assured. However, unique solvability holds under conditions p � 0, c � 0 and either p $ 0 or c $ 0 (GILllARG and TRUDINGER [ 1 06, p. l 30l. Remark 4.1.3 Analogous theorems to Theorem 4. 1 .2 hold for the linear elliptic BVP (4. 1 .3)-(4 . 1 .4) with Dirichlet conditions (GILBARG and TRUDINGER 1 106, p.107]) . In this case, it is required that l/J E c2+�a�, R] We shall state some results for solutions in the Sobolev spaces W.i[�, R] , q > 1 analogous to the Schauder results in the Holder spaces C2+a[f, R] . Let us state the following uniqueness and existence theorem that provides us with generalised (weak) solutions of the linear elliptic BVP (4. 1 .3)-(4. 1 .4). Its proof may be found in LADYZHENSAYA [ l 54, p. 160j . Theorem 4.1.4 Assume that (i) (ii) (iii) (iv) (v) aij, bi, c E C[�, R] , c(x) � 0 and L is strictly uniformly elliptic in �; p, q E Cl[�, RJ for p and q nonnegative functions and there exists ).L ( >O such that p�J1.I !or all x E ()�; � belongs to class C2+a; h E Lq[f, R] for q > 1 ; 1 -l/J E C [� , R] . Then the linear elliptic BVP (4. 1 .3)-(4. 1 .4) has a unique solution u such that u E Wq2[f, RJ . 4.1 DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR ELLIPTIC EQUATIONS 95 The following result gives the global a priori Agmon-Douglis-Nirenberg estimates (or Lq estimates) for generalised solutions of the linear elliptic B VP (4. 1 .3)-(4. 1 .4). The proof may be found in AGMON­ DOUGLIS-NIRENBERG [3, p.704] and LADYZHENSAYA [ 1 54, p. 162] Theorem 4.1.5 Assume that the hypotheses of Theorem 4.1 .4 hold. Thenfor any u E Wq2 [�, R] , there is a constant C = C(m, K, q, CY9, the modulus of continuity of au and norms bj and c), (4.1.8) which is independent of u such that (4.1.9) Moreover, ifu is a generalized solution belonging to Wi[�, R] , then (4.1.10) Remark 4.1.4 Note that the assumptions (i), (ii), :(iii) and (v) of Theorem 4. 1 .4 are satisfied by the assumptions (i), (ii) , (iii) and (v) of Theorem 4. 1 .2. The uniqueness, existence and Agmon-Douglis-Nirenberg estimates of generalised (weak) solutions of the linear elliptic BVP (4. 1 .3)-(4. 1 .4) are orten given with the assumptions of Theorem 4. 1 .4 and h E Lq[ifj , Rj for q > 1 (TEMME [282, p.G5 ]). Remark 4.1.5 Analogous theorems to Theorem 4. 1 .4 and Theorem 4. 1 .5 hold for the linear elliptic B VP (4. 1 .3)-(4 . 1 .4) with Dirichlct conditions (LADYZIIENSAYA [ 1 54, p. 149j , GILBARG and TRUDINGER [ 1 06 , p.24 1 ]) . We shall now look at the maximum principle for elliptic equations 4.1.4 The Maximum Principle for Elliptic Equations Throughout this thesis, we will use various forms of the maximum principle for the elliptic operator to obtain information about the solutions of our equations. A simple form of the maximum principle that we will find useful is the following Lemma 4. 1.8 (Maximum Principle) Let II' E C2 [�, R] be such that -LII'5, 0 in '9 and B V/ 5, 0 on if9. Then 11'5, () on � . Other forms of the maximum principle for the elliptic operator are given by PROTTER and WEINBERGER [234] and SPERB [27 1 ] . 4.1 .5 Relationships between Solutions o f Linear Elliptic and Linear Parabol ic Equations In order to show the relationships between unsteady state solutions and steady stale solutions, we shall require some theorems concerning the asymptotic behaviour of linear parabolic equations as t � 00. The following theorem is proved by FRIEDMAN [94, Ch. 61 and CARTER [50J. The nOLation used is from section 3 . 1 . 4.1 DEFINITIONS, NOTATION AND GENERAL RESULTS FOR LINEAR ELLIPTIC EQUATIONS Theorem 4.1.6 Suppose that 96 (i) aij , bi, c in !l!u are uniformly continuous and bounded in QT and !l! is strictly uniformly parabolic; (ii) p and q in fiJu are nonnegative functions which are uniformly continuous and bounded in �. and for some J.l.1 > 0, pet, x) � J.l.1 for all (t, x) E rT; (iii) u(t, x) satisfies the dif erential equation !l!u = h(t, x) in QT, together with the boundary condition fiJu = ¢J(t, x) on rT, where h is continuous on QT and ¢J is continuous on rT. If lim h(t, x) = ° uniformly on QT ' lim ¢J(t , x) = ° uniformly on 71· and lim c(t, x) $ ° uniformly on 1-+00 t�oo 1-+00 QT' then lim u(t, x) = ° uniformly on QT ' t�oo The following theorem shows the relationships concerning the asymptotic behaviour of linear parabolic equations as t � 00 and their corresponding linear elliptic equations. Theorem 4.1 . 7 Suppose that (i) aij , hi, c in !l!u are uniformly continuous and bounded in Qr and !l! is strictly uniformly parabolic; (ii) p and q in fiJu are nonnegative functions which are uniformly continuous and bounded in rT and for some J.l.1 > 0, pet, x) � J.l.l for all (t, x) E 71· ; (iii) aU ' bi , C E ca lf, R] in Lu and L is strictly uniformly elliptic; (iv) p and q in Bu are nonnegative functions in CI+lX [J�, RJ and for some {L\ > 0, p(x) � {Ll for all X E J�; (iv) au (t, x) � aij (X) , bij (t, x)� bi (x) , c(t, x) � c(x) as t � 00, uniformly in Qr ; pet, x) � p(x) , and q(t, x) � q(x) as t � 00 , uniformly in �.; h(t , x) � hex) as t � 00, uniformly in (IT ; ¢J(t, x) � �(x) as t � 00, uniformly in �. ; If u(t, x) satisfies the differential equation !l!u = hU, x) in QT, together with the boundary condition fiJu = ¢J(t, x) on rT, where h is continuous on Qr and ¢J is continuous on rT and if u(x) is the unique solution of the boundary value problem Lu= hex) in �, Bu = �(x) on �, where h E Ca[�, R] and � E Cl+a[�, RJ , then u(t, x) � u(x) as t � 00 uniformly on (1 . . Proof 4.2 IMBEDDING RESULTS Put W(/ , x) = u(t, x)-u(x), for (I, X)E 0. Then: fl!w = 9!u- 9!u+Lu-Lu = h(t, x)-h(x)+ (L- 9!)u in QT, 3Jw = [iJu-[iJu+Bu-Bu �I/J(/, x)- �(x)+(B-[iJ)u on rT. 97 From the assumptions of this theorem, the boundedness of u(x) and its first and second partial derivatives on � (see Theorem 3 . 1 .2), we may apply Theorem 4. 1 .6 and conclude that lim W(/ , x) = O, uniformly on Qr , I�� implying that u(t, x) � u(x) as t � 00 uniformly on QT ' O Remark 4.1.6 Analogous theorems to Theorem 4. 1 .6 hold for the linear BVP (4. 1 .3)-(4. 1 .4) with Dirichlet and Neumann type boundary conditions (FRIEDMAN [94, Ch.6]). In section 4.2, we shall present some imbedding results for the system Sn ' Bn . 4.2 Imbedding Results For the purposes of uniqueness, stability and existence theorems of the steady state system, we may consider the quasimonotone system Sn ' En where Ii and Fj are monotone nondecreasing in Cj and Cj respectively for j � i . This is not a restriction on these theorems of this chapter since if this monotone property is not satisfied, then the system Sn ' Bn with general functions Ii and Fj can be imbedded in a system S2n ' E2n of the same form where !; (x, () is replaced by l (x, f.k ' c, ) for t.he first 11(/) dependent variables Cj and by f.; (x, fk ' e, ) for the next ll(l) dependent variables f..j. Also, F; (z, Cj ) is replaced by �(z, �k ' <'7;) for the first n(1) dependent variables C; and by f.j (z, fk ' <'7;) for the next n(J) dependent variables Ci . It can be shown that solutions of this new system may generate solutions of the original system and therefore uniqueness, stability and existence can be implied in the original system. We consider the new system S2n ' B2n of up to twice the order satisfied by fj ' Cj ' fj and C; in the following equations: aC · ae -=1.=0 _I = 0 on aD xA-an ' an l ' aC ae -D -=1. = H (C - c · ) 0 -' = H· (C, - e ) on aQ2xA- � an I -I -I ' I an I I ' 4.2 IMBEDDING RESULTS where L, h Ei and F;are defined in (3.2.9)-(3.2. 1 2) . 98 Note that the functions (h , -[) and (F;, -fJ obey a mixed quasimonotone property (mqmp) in the sense of LADDE et al. [ 153 , p. 107] , Le, the functions }; and -f , are monotone nondecreasing in CI and -I monotone nonincreasing in £k for all i � k, I and the functions F; and -L are monotone nondecreasing in CI and monotone nonincreasing in �k for all i � k, I . If we therefore slightly modify the system S2n , B2n as suggested by McNABB [ 1 86] , by introducing new variables Vi ::= Ci , V n(/)+i ::= -f.i for i ::= 1, .. , n (I) and Vi ::= � , Vn(J)+j -C for i ::= 1, .. , n(J) and if we set ft ::= Ij , in*(I)+j ::= -L for i ::= 1, .. , n (l) and F/,' ::= F; , Fn(J)+j ::= -f..i for i ::= 1 , .. , n (J) then we obtain a new system Sin ' Bin for which f/ and F/ are nondecreasing functions of Vj and Vj, respectively , for all j � i. It can be shown by Lemma 3 .2.2, that these new functions have the Lipschitz properties that were imposed on the original functions!; and Fj• Every solution (Cj , Cj ) of Sn , Bn generates a solution Vj ::= Cj , vn(l)+i ::= -fj and Vj = Cj, Vn(J)+j ::= -�j of the new system Sin ' Bin with the special property that for i � n(l), Vj + vn(/ )+j = 0 in Q x A and for i � n(J), Vi + Vn(J)+j = 0 in A . Conversely, any solution (Vi, Vj) of the new system Sin' Bin with the special property that for j � n(J) we have Vi,l + Vn(J)+j,1 == 0 on JAi l may in some cases be shown by the following theorem to give rise to a solution of the system '�n ' Bn . Theorem 4.2.1 . The general system Sn, Bn for whichJi and Fi are Lipschitz continuous in Cj and Cj respectively, may be imbedded in a system Sin ' Bin of twice the order which is coupled by monotone functions ft and Fi· of the new dependent variables Vj and Vi. Moreover, all the solutions (ci ' Ci ) of the system Sn , Bn are solutions of the new system, where Vi = Ci , Vn(/)+i ::= -Ci for i ::= 1, . . ,n(J) and Vi = Ci, Vn(J)+i ::= -Ci for i = I, . . ,n(J) and all the solutions (Vi, Vj) of Sin ' Bin for which Jw _I ::= O on JQl xA; dn Jw D -I -H(W - w ) ::= O on Jf22 x A ' I an I I I , (4.2.1) (4.2.2) (4.2.3) (4.2.4) (4.2.5) (4.2.6) (4.2.7) (4.2.8) 4.2 IMBEDDING RESULTS 99 with Wj = Vj + Vn(l)+j for i = 1 , . . ,n(l) and "'i = Vi + Vn(J)+j for i = 1, . . ,n(J), generate solutions (Cj , Cj ) of the system Sn, Bn , provided that solutions (Vj , Vi) of Sin ' Bin are unique. Proof We first note that if we set fj == Cj == Cj and C == � == Cj where (Cj , Cj ) is a solution of Sn, Bn , then we have a solution of the new system Sin' B2n , so that the solution set of this new system contains all of the solutions of the original system Sn , Bn . In this system, we make the variable change Vj =Cj , vn(l)+j = -f.j , for i= l , . . ,n(I) , (4.2.9) Vi =Cj , Vn(J)+j = -L, for i= l , .. ,n(J), (4.2.10) so that the coupling functions ft and Pi·are nondecreasing functions of all the new dependent variables Vj and Vj' respectively, for all j � i. Denote this system by S�n ' B�n ' The solutions of Sn ' Bn generate solutions in Sin ' Bin for which Wj = Vj + vn(l)+j = 0 in .a x A and Wj = Vi + Vn(J)+j = 0 in A . Suppose we have a solution (Vj , Vi) of S�n ' Bin for which (Wj , Wi) = (Vj + vn( l)+j , Vi + Vn(J)+j ) satisfies (4.2.3)-(4.2.8). We then obtain the following system of equations, S; for (Wj , Wi): -DjV;Wj = /;*(x, Vj ) + In*(/)+j (x, vk ) = �(x, fj ' ck ) - L (x, fj ' Ck ) = �(x, Cj - Wj ' ck ) - L(x, Cj - Wj ' Ck ) in .QxA, = F*(z V. ) + F*(J) · (z Vk ) - H. J (W - w ) , ' J n +" ' rJ!J2 " = �(z, f;..j ' Ck ) -!!.j (Z, �i ' Ck ) - lljLn 2 ("'i - Wj ) = F;(z, Cj - Wj , Ck ) -!!.JZ, Cj - Wj ' Ck ) - HjLn2 (Wj - Wj ) in A, aw D -' = !-f . (W - w ) on a.a2 x A , an ' " . In addition, (Wj , W;) satisfies the boundary conditions B; given by Bn with Wj,! = Vi,l + Vn(J)+j,1 = O . (4.2.1 1) (4.2.12) (4.2.13) But � (x, Cj-Wj ' Ck )-L(x, Ci-Wj ' ck ) and �(z, Cj-Wi , Ck )-!!.;(Z, Cj-Wj ' Cd-Hjfa ("'i-Wj ) vanish when Wj == wi == 0 for all ), and since (Wj, W;) == 0 is a solution of this boundary value pr�lem and by uniqueness it is the only solution, we conclude that Wj == 0 in D x A and Wj == 0 in A. The conclusion of our theorem must fol low.O An immediate consequence of these imbedding results is that existence, uniqueness and stabil i ty results for the system S�n ' B�n imply existence, uniqueness and stabil i ty for the corresponding solution of Sn ' Bn . Of course, solutions of Sn ' Bn may be stable in Sn ' Bn ' but unstable in the larger setting Sin ' Bin . This of course can imply that there may be uniqueness of solutions in Sn, Bn and nonuniqueness of solutions in the larger setting Sin ' Bin and if there are multiple solutions in the larger selling Sin ' B�n ' this implies that there can be no greater number of solutions in the original system Sn ' En . The implications of this is that nonexistence of solutions in the system Sin ' Bin must imply nonexistence of solutions in Sn ' Bn . As with the time dependent problem, UlCre arc many OIlIer implications of these imbedding results (sec section 3 .7). MASSEY UNIVERSITY LIBRARY 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 00 Remark 4.2.1 Note that the functions and F(z cJ, - w Ck ) - F . (z CJ· - w. Ck ) - /-I ·f (W - w) I ' J ' -I ' . J ' 1 (J[).2 1 1 in the right hand sides of (4.2 . l 1 ) and (4.2. 12) are monotone nondecreasing in Wj and Wj, respectively. In section 4.3 we shall study the existence of solutions to the steady state system Sn ' En ' 4.3 Existence of Solutions to the Steady State Problem In this section we shall be looking for steady state solutions of Sn ' Bn which are solutions of the time independent problem Sn ' En . We demonstrate in this section that solutions of problem Sn ' En specified by Cj.l exist. By a solution, we shall understand a classical solution (Cj, CD of Sn ' Bn , where (i) For components i E I where Dj, Hj > 0, Cj are continuous in .Q xA , have continuous first order Xj derivatives in .Q xA and continuous second order Xj derivatives in .QxA . In this case, we shall look for classical solutions of the form Cj (x, z) E C2•O [.Q x A , Rn( / ) ] . (ii) For components i E I where Dj = Hj = 0, Cj arc continuous in !) x A . In this case, we shall look for classical solutions of the form Cj (x, z) E Co.o[.Q x A , R n( l) ] . (iii) For components i E J where !1Jj > 0, C j arc continuous in X, have continuous first order Zj derivatives in if and continuous second order Zj derivatives in A . In this case we shall look for classical solutions of the form Cj (z) E C2[A , Rn(J» ) . (iv) For components i E J where 9)j = 0, U · 'lCj $ 0, Cj are continuous in if and have continuous first order Zj derivatives in A . In this case we shall look for classical solutions of the form Cj(Z) E C1 [A, Rn( J) ] . (v) For components i E J where 9)j = 0, U · 'lCj == 0, Cj are continuous in X. In this case we shall look for classical solutions of the form Cj (z) E CO rA, Rn( J) ] . Comparison theorems arc used in this section in conjunction with theorems on a priori estimates and existence of linear elliptic equations to derive estimates of the system Sn ' Bn and to prove the existence of solutions to this system. There may be some cases where Dj or q)j may be zero and these cases are treated by using standard results. As for the system Sn ' Bn , we shall need some additional continuity properties to establish existence of the corresponding l inear system and make the fol lowing assumptions on !; (x, c) and F;(z, Cj) . (H2) (i) hex, C) E CCt[.Q x Rn( / ) , Rn( / » ) . i .e . , hex, c) i s HOlder continuous in x with exponent a, for each fixed value of G'j. 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 01 (ii) F; (z, Cj) E Ca [A X Rn(J) , Rn(J) ] , i .e., F; (z, Cj) is HOlder continuous in z with exponent a, for each fixed value of Cj. Note that these assumptions are satisfied by assumption (H2) iffi and Fi are independent of I. By Lemma 4. 1 .3 , we see that the exponent a in both cases may be assumed to be identical. 4.3.1 The Monotone System Sn ' fin We may assume at the outset that the system Sn ' En is a monotone system, in the sense that h(X, Cj) is monotone nondecreasing in Ci and F; (z, Cj) is monotone nondecreasing in Ci for all i . This is not a restriction on the theorems of this section since if this monotone property is not satisfied we may make the following substitution to obtain a system of the same type but with new functions that are monotone nondecreasing in Cj and Ci . We first observe that if (ci' Cj) is a solution of Sn ' En and XI , Zl and U I (Z) are chosen without loss of generality to be the first components of x, z and u(z) respectively, then (wi ' �) dermed to be where and satisfies the following system of equations: -D. (V2w - 2K aWi ) = K2Dw. + eKX1 " (x e-KX1 w .) in ,axA , x , ') , , J j ' ] ' oXl �e-Kxlwi = 0 on (}.alxA, an D.�e-Kxl w. = IJ . (e-Kz1 W. _ e-KX1 w) on a!J2xA I an I I , I ' -Kz1 W � (} -Kz1W -Kz1C "lA vie . + :v. -e . = vie . I on a;1 1 I I J I " ' ani a -Kzl W - 0 "l A - 2 3 �e i - on ana, a , . ana (4.3.1) (4.3.2) (4.3.3) (4.3.4) (4.3.5) (4.3.6) (4.3.7) (4.3.8) The system is similar to the original system Sn ' Bn in that uniform ellipticity conditions are still preserved in (4.3.3) and (4.3 .6). The nonlinear coupling function h(x, Cj ) for Cj components in these equations is replaced by (4.3.9) the nonlinear coupling function F;(z, Cj) for Cj components in these equations is replaced by (4.3.10) and the functional term (4.3.11) 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 102 is replaced by (4.3.12) The functions K2Djwj +eKX1 hex, e-KX1wj) and !ljK2Wj +uI (z)KW; +eKZ1 F;(z, e-KZ1 W) satisfy a monotone property given by the following lemma: Lemma 4.3.1 Our assumptions (H I ) of Lipschitz continuity properties for the functions /; and Fj with respect to Cj and Cj imply that the functions K2Djwj + eKX1 h(x, e-KX1 wj ) and !ljK2W; + ul (z)KWj + eKZ1 F;(z, e-KZ1 W) with Cj = e-KX1 wj and Cj = e-KZ1W;, are monotone nondecreasing in Wj and Wj, respectively. Proof Assume that Wj $ wj so that Cj $ cj . From (HI), we see that and therefore, [K2DjWj + eKX1 h ex, e-KX1 wj)] - [K2Djw; + eKX1 h ex, e-KX1 wj )] = K2DjeKxl (Cj - c;) + eKX1 [hex, Cj ) - h ex, cj )J < _eKx1 [K2 D· (c� - c·) + K(c· - C ·)] - I I I I J J $ 0, if K is chosen to be large enough. This shows that so that this new coupling function K2Djwj +eKx1 hex, e-Kx1 Wj) is monotone nondecreasing in Wi. A similar argument holds if we have to show that �K2W; +uI (z)KW; +eKz1 F;(z, e-KZ1 Wj) is monotone nondecreasing in Wi. This may be shown irrespective of the sign of UI(Z).O It can also be shown that these new functions also satisfy the same Lipschitz and Holder continuity properties as our original functions. Lemma 4.3.2 Our assumptions (H I ) of Lipschitz continuity properties for the functions h and Fj with respect to the v a r i ab l e s Cj and Cj imply similar Lipschitz continuity properties for the funct ions K2D·w- +eKx1 " (x e-Kx1 w · ) and $.K2W. +uI (z)KW +eKz1 F(z e-Kz1 W·) with respect to the variables I I Jj , J I I I I ' J Wj and Wj,for Cj = e -Kxl Wi and Cj = e -Kzl W; . Proof We need to only show that where, 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 103 < K2D lw _w* l+eKxl k- l e-Kxl lw ' -w* 1 - I I I I J J < K2D' lw ' -w� l+k lw ' -w� 1 - I I I I J J � k sup IWj -wj l , J k = max (K2Dj , kj ) . j and the first part of the proof follows. The rest of the proof follows similarly.O Lemma 4.3.2 Our assumptions (H t> of Lipschitz continuity properties for the functions /;, with respect to the variables Cj and assumptions (H2) of Holder continuity properties for the functions /;' with respect to x with cJfixed imply similar Holder continuity properties for the functions K2Djwj + eKX1 /; (x, e-KX1wj ) with respect to x with Wj fixed, where Cj = e-KX1 Wj . Similarly, our assumptions (H I ) of Lipschitz continuity properties for the functions Fj, with respect to the variables Cj and assumptions (/12) of Holder continuity properties for the functions Fj, with respect to z with CJfixed imply similar Holder continuity properties for the functions �K2lti +UI (z)Klti +eKZ1 F; (z, e-KZ1 Wj) with respect to z with Wj fixed, where Cj = e-KZ1Wj . Proof We shall only show that fi (x, e-KX1wj) is Holder continuous in x. The rest of the proof is simi lar and follows from Lemma 4. 1 . 1 and Lemma 4. 1 .2. where l fi (x, e-KX1wj ) _ fi(x: e-Kx: wj)1 = I/; (x, e-KX1 wj ) _ fi(x; e-KX1wj ) + fi (x: e-KX1wj) - /;(x: e-Kx: wj)1 � l fi (x, e-KX1 wj ) _ fi (x: e-KX1wj )I+lfi (x: e-KX1wj ) _ fi(x: e-Kx: wj)1 � kx (fi)l lx - x· lIlX + kj le-Kx1wj _ e-Kxj wj l � kx (fi)l I x - x* lllX + kj lwj l le-Kxl _ e-Kxj I � kx (fi)l I x - X* lIlX +kj lwj lKl ixl - x; I I I-lX II xl - X; l IlX ::; kx Cfi (x, e-KX1wj»l Ix - x· l IlX, We may assume that the substitution (4.3 . 1 )-(4.3 .2) has been made and that fi(x, Cj) is monotone nondecreasing in Cj and F; (z, Cj) is monotone nondecreasing i� Cj� If, on the other hand the monotone property is not satisfied by all the other variables, then the syslem Sn ' Bn with general functionsJi and Fj can . . - be imbedded in a system S2n ' B2n of the same form where fi (x, C j ) is replaced by /; (x, fk ' (;/ ) for the firSl n(I) dependent variables Cj and by t (x, fk ' (;/ ) for the next n(I) dependent variables �j . Also, F;(z, Cj) is replaced by F;(z, {;,k ' �) for the first n(J) dependent variables C; and by !!.j (z, {;,k ' �) for the next n(J) dependent variables �j . The exislence resulLs obtained for lhis new syslem of lwice the order salisfied by ----------- 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 104 (fi ' �i) and (Ci ' G;) then implies a solution of our original system Sn. Bn by the imbedding results of section 4.2 if uniqueness is guaranteed in the monotone system S2n . B2n . It has been shown in section 3.2 that the functions L. l . Ei and F; satisfy the same Lipschitz continuity properties as our original functionsJi and Fi in the system Sn . Bn . It can also be shown that these new functions satisfy the same Holder continuity properties as our original functions and the fol lowing lemma is a spccial case of Lemma 3.6.4. Lemma 4.3.3 Our assumptions (H2) of Holder continuity properties for the functions fj. with respect to x with Cj fixed imply similar Holder continuity properties for L and l . with respect 10 x with fie and (;, fixed and so there are constants kx such that l�i (X. fie ' �)-�i(:: f" . _ C, )1 � kx�[)IIX-:*�ICX .} I.t;(x. fie ' cl ) - .t;(x. fie ' c,)1 � kx (.t;)lIx - x II . (4.3.13) Similarly. our assumptions (H2J of Holder continuity properties for the functions Fi with respect to Z with Cj/ixed. imply similar Holder continuity properties for Ei and F; with respect 10 Z with �" and � fixed and so there are constants Kz• such that IEj (z. k" . � )-Ej (z : k" . � )I � Kz (E; )Il z - z* l IlX . } 1F;(t. z. �k ' Cr)- F;(t. z: �k ' Cr )1 � Kz (F;)lI z - z* lIcx . (4.3.14) For the purposes of our ex istence proof. we firstly look at the monotone system '�n . Bn where we assume our coupling functionsJi and Fj are monotone nondecreasing in Cj and Cj. respectively for all }. 4.3.1 Upper and Lower Solutions and Monotone Iteration We shall now introduce the concepts of upper and lower solutions relative to the monotone system Sn . Bn . Definition 4.3.1 . Assume that (i) For components i E I. where Di > O. fj and Cj are continuous functions in .Q x A with continuous first order Xj derivatives in .Q x A and continuous second order Xj derivatives in .Q x A ; (ii) For components i E I. where Dj = II i = O. fi and C, arc continuous functions in £2 x A ; (iii) For components i E 1. where �j > O. C and Cj are continuous functions in if. with continuous first order Zj derivatives in if and continuous second order Zj derivatives in A; (iv) For components i E 1. where �i = O. u · '\lCi $0. �i and Ci are continuous functions in A . with continuous first order Zj derivatives in A; (v) For components i E 1. where �j = O. u · '\lCj == O. �j and Cj are continuous functions in A ; 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 105 The ordered pair of functions (fi ' �i ) and (ci ' Ci ) with fi � Ci on n x A and �i � Ci on If arc said to be lower and upper solutions of Sn ' Bn respectively, if Ihey satisfy: and -DiV; fi � h(x, c;.;) in ,axA, dC· -=:!.. � 0 on d,alXA, dn dc · D -=:!.. < H (C·- c· ) on d,a2XA I an - ' -' -I ' - !llV2 c. + u · VC. + H.J (C.-c - ) � F( z, (;:J' ) in A, I _I _ _I I aDz _I -I I _ -D;V; Ci � h (x, Cj ) in .(lxA, de· d� � 0 on d,alxA, dc· - _ D·-' > I-f . (C.- c· · ) on d,a2XA I dn - I I I , _ !�:v2 C· + U · V C+ l-f . J (E - c » F ( z C ) in A I I I I aD2 I I - I ' J ' - dE VI C·+ 9). __ , > VIC. I on dAI I I dnl - I. ' dC· __ , � o on dAa, a = 2, 3 , dna respectively. We nOLe from the counterexample at !he end of section 3 . 1 , !hat comparison !heorems analogous to Theorems 3 .2 . 1 1 and 3 .2. 1 2 do not hold in general in the case of the corresponding steady state or time independelll problem Sn ' Bn . Hence, if there exist (fi ' �i ) and (ci ' C;) which are lower and upper solutions of the steady stale problem Sn ' Bn and (Ci, Ci) is a solution of Sn ' Bn , then in contrast to the unsteady state problem Sn, Bn, we cannot assert that fi � ci � Ci and �i � Ci � Ci . However, the method of monotone i teration is still applicable and shows !he existence of at least one solution (Ci, Ci) of Sn ' Bn lying between (fi ' �i ) and (ci ' Ci ) · Lower and upper solutions may not always exist for elliptic equations. Therefore, as a result of this, certain unstable solutions cannot be obtained by monotone i teration (PARTER [230] , KELLER and COHEN [ 1 39 ] , AMANN [9]) . However, it must be noted that as with parabolic equations (PAO [222]), there are geometric conditions which the nonlinear reaction functions f; and Fi may satisfy which guarantee the existence of ei ther lower or upper solutions for elliptic equations (AMANN [9]) . These lower and upper solutions may not necessarily exist simultaneously. As for the system Sn, Bn, it is important to note that the lower and upper solutions provide lower and upper bounds for solutions of ,�'" Bn which can be improved by monotone iteralive procedures. 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 106 In order to establish an existence theorem for Sn ' Bn in terms of upper and lower solutions, we define a transformation !!i, by and consider the sequences {(c�k) , Cfk» } where c�k) is obtained from the l inear system and Cj(k) is obtained from the linear system :v-(k) C(k) rill Q\.,j - C a A VI ' + ;v.-- VI ' I on .Ill , , ' ani ' " ac(k) -a ' = 0 on aAa, a=2, 3 , na ' th < (k-I) < - n A . d C < C(k-I) < C- A f' k - 1 WI £j _ Cj _ Cj on .U X .ll an _j _ j _ j On .ll or , . . . . (4.6.15) (4.3.16) (4.3.17) (4.3.18) (4.3.19) (4.3.20) (4.3.21) For each k, the system (4.3 . 16) consists of n(J) l inear, completely uncoupled boundary value problems with boundary conditions g iven by (4.3 . 1 7)-(4.3 . 1 8) and this system is uncoupled from the system (4.3. 1 9) which also consists of n(J) l inear, completely uncoupled boundary valuc problems with boundary conditions g iven by (4.3 .20)-(4.3 .21) . Since cfk) (x, z) is not differentiated with respect to z in (4.3 . 1 6) , A may be considered to be a parameter space in (4.3 . 1 6)-(4.3. 18). For functions c[k) (x, z) where Dj = Hj = 0, n may also be considered to be a paramctcr spacc and for functions C[k)(z) , where 9)j = 0, U · vcfk-1) == 0, wc may similarly u'cat A as a parameter space. The cxistence and uniqucness of sequences {(c?) , Cj(k» } may therefore fol low from solving standard scalar systems of l inear ell iptic equations (LADYSHENKA YA [ 154] or GILBARG and TRUDINGER [ 1 06]) which may or may not depend on parameters, systems of first order partial differential equations which may depend on parameters (LAKSI IMIKANTHAM et al. I I GO]) and systcms of algebraic equations in many variables. The nonlinear algebraic equations h (x, Cj ) = 0 obtained when Dj = Hj = ° may be expressed as Cj = fi (x, C j ) + Cj in order to perfonn functional iterations to find Cj in terms of Cj. We shall develop a general theory for a broad class of monotone iterations involving such algebraic equations. This class of i terations includes Newton's method as wcll as a family of mCI,hods, which arc Ncwton-Gauss-Seidel processes (ORTEGA and RI IElNBOLT 1 206, 207 J , LADDE et al. 1 1 53 , p. 36 1). It is the Lipschitz propcrty that may be used instead of differentiability in many other iterative methods. Note that fi (x, Cj ) + Cj satisfy the Lipschitz and HOlder continuity properties that are assumed on our original fi (x, Cj) as well as the monotonicity in Cj (see Lemma 4. 1 . 1 ) . We may therefore rewrite (4.3 . 16) as Cfk)= h(X, C;k-l» + cfk- 1) when D, = Hj = O . The existence and uniqueness of sequences ( c?) } follows from the uniquely dcfined solutions to algebraic equations. 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 107 The rest of these theorems will require Holder continuity properties on the functions !; (x, C)k-I» and F (z dk-I» +H·f C�k-I) which are satisfied if either C(k-I) E Cl+a,a [{), x A Rn(l) ] C(k-I) E Ca,a I , J I a I J ' ' J [{), x A Rn(l) ] c(k�h E CI+a [A Rn(J)] or C(k- I) E Ca [A Rn(J) ] , , J ' J , . These theorems will also require Holder continuity properLies in the boundary conditions and so we make the following assumptions on Ci,l ' We will assume that dQ and dA belong to class C2+a. (H' ) C. E CI+a [A Rn(J) ] 3 1,1 ' • The velocity distribution vector function u(z) is also required to satisfy the following Holder continuity property where UI(Z) is chosen without loss of generality to be the first component that is nonzero. For components i E J, where 9Ji = 0, u·VCi ¥'O, we shall also need the following additional assumptions (Hs) Assume that A == A I X A n-I , where A I E R . (i) For each (ZIO , zo) E A I X A n-l , there exists a unique solution Z(Z I , Z IO, zo) of dz �z) - - == -- , Z(Z IO) = zo, on A I , dZI ul (z) where ZI correspondes to the nonzero component U I (Z); (i i) Z(Z I o Z IO, zo) is continuously differentiable with respect to (Z IO, zo); (iii) The relationship holds. (H6) Assume that A I is the interval [a, b] (i) For each Zo E A n-I and YiO E Rn(J), there exists a unique solution Yi(Z \ , a, YiO; zo) of F ( ( ) C(k-I» H sYY. H J (k-I) ( ( » } dJi == I Z) , Z z) , zlO , zo ' J - I I + I aaz ci zl o X, Z Zi o zlO , Zo , dZ) UI (z) Yi(a ) = YIO , on A I , where Z(Z I , Z I O, zo) is the unique solution of (4.3.22); (ii) Yi(Z I , a, YiO; zo) is cont.inuously differentiable with respect to (YiO, zo). (4.3.22) (4.3.23) (4.3.24) 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 108 Note that assumptions (H3)-(H6) will hold in either our original system 5n , Bn or the monotone system S2,, ' B2n and (Hf;) can be shown to hold in the monotone system 52" , B2" if it holds in our original system Sn ' Bn . Lemma 4.3.5 Consider the BVP (4.3.16)-(4.3.21 ) and suppose that the assumptions (H I ), (H1 ) -(/-I:") hold. Let there ex i s t (fj , !,;;j ) a n d (Cj ' Cj ) which are lower and upper solutions respectively of Sn , Bn w i t h (k I) - (k I) - -£j $. Cj - $. Cj on .Q x A and c;,j $. Cj - $. Cj on A . Assume that (i) (ii) (iii) (iv) (v) For components } E I, where Dj, /-Ij > 0, C)k-I) E Cl+CX,cx[.Q x A, R"(I » ) ; For components j' E 1 where D · = fl · = 0 c(.*-I) E CCX,CX [!2 x A R"( I » ) · , J J ' J " For components } E 1, where 9)j > 0, Clk-I) E CI+cx [A , R"(J) ] ; For components j' E 1 w he r e 9) . = 0 u · VC(k-I) ,.,O C(k-I) E CCX [ A R"(J) ] and assumptions , J ' J T' , J ' (fls )-(H;' ) hold; For components j' E l where 9) , = 0 u · VC(k-l)= O C(.*-l) E Ccx[A Rn(J) ] , J ' J ' J , . Then the BV? (4.3 .16)-(4.3.2 1) possesses a unique solution (cfk) , C? » , where (1) (II) (III) (IV) (V) For components i E 1 where D · H · > 0 c(k) E C2+cx.cx [.Q x A R"( I » ) · , h i ' , " For components i E 1 where 0. = /-I. = 0 c(k) E CI+cx,cx [.Q x A R,,( I » ) · , ' " , " For components i E 1, where 9)j > 0, cfk) E C2+cx r A , R,,(J) 1 ; For componcflIs i E J where �' = 0 U · VC 0 for all }. It is obvious that for equations (4.3 . 16)-(4.3. 1 8), all conditions of Theorem 4. 1 .2 except for those listed in assumption (iv) are satisfied. Note that the function Cjk-I) in the boundary condition of cfk) arc functions of z but arc independent of x. The function Cj*-I) therefore satisfies the Holder continuity property required by assumption (v) of Theorem 4. l .2 and z may be treated as a parameter. It is therefore enough to show that fi(x, cjk-l» E Ccx,a [.Q x A x Rn( l ) , Rn( l ) ] and this will foil ow as a special case of (3.6.2 1). For a given z in A, i t fol lows from Theorem 4. 1 .2 thut (4.3 . 1 6)-(4.3. 1 H) hus a un ique solution cfk ) , where C�k) (X; Z) E C2+a [!2 , Rn( l ) ] . To show that cfk) is Holder continuous in Z with exponent a, we consider equations (4.3 . 16)-(4.3 . 1 8) with Z and z· and look at the difference of these equations. Note that from the assumptions, so that 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 109 It then fol lows that Letting and where -k ( f. ( (k-I» )" _ ' " a < �« (k) ( )_ (k) ( ' » _D .n2 ( (k) ( )_ (k) ( ' » % J , X, C, Z Z - at c, x, z ci X, z , v X c, x, z c, x, z -KZ(CY-I » lli I C;k-I\1 (d(AW-IX "Z-Z ' "a wil = Wj2 � q :n (c?) (x, z) - c�k) (x, Z' » + Hi(C�k) (x, z) - C�k) (X, z · » � Kz(cy-l» Hi 'C�k-l\l (d(A» l-a l i z - z· l Ia . (k) ( ) (k) ( ' ) k ( f. ( (k-l» )" ' " a 1 2 Cj t, X, z - Cj / , X, z - z Jj /, x, Cj z - z 2l5i"XI K l l z - z' "a (k) ( ) (k) ( ' ) k ( r( (k-l» )" ' " a 1 2 Cj t, X, z - Cj / , x, z + z .Ij t, x, Cj z - z 2l5i"XI K" z - z ' "a we obtain the problems and (4.3.25) (4.3.26) (4.3.27) (4.3.28) (4.3.29) (4.3.30) (4.3.31) 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 10 The problems (4.3 .30) and (4.3 . 3 1 ) arc equivalent and it follows by well known results (sec KEADY and McNABB [ 1 37]) that and wl � -( I + d(.o ) + H. (d(.o » 2 ) , 2D. Therefore so that -K(I + d(.o) + H. (d(.o»2)l I z - z· l Ia :5 (cfk) (x, z) - c�k) (x, z· » 2D. :5 K(1 + d(.Q ) + H. (d(.o»2)l l z _ z· l Ia , 2D. i .e., cfk) is Hl>lder continuous in z. We see Lhat (4.3 . 16)-(4.3 . 1 8) has a unique solution c?) , where c}k) (x, z) E C2+a,a [.0 x A , Rn(l» ) . (4.3.32) (4.3.33) (4.3.34) (4.3.35) (4,3.36) Note that Lhe equation (4.3 . 34) could also have been obtained by integrating (4.3 .25) with boundary conditions (4.3.26) and noting that the corresponding Green's function is integrable. It is obvious Lhat for equations (4.3 . 1 9)-(4.3 .2 1 ) , VI E Ca [A , Rn) and all conditions of Theorem 4. 1 .2 except for those l isted in assumption ( iv) are satisfied. Therefore, it is enough to show that F;(z, CY-I» +H.J cfk-I) E Ca [A x Rn(J) , Rn(J» ) and Lhis follows as a special case of (3 .6.37). It follows from Theorem 4. 1�fLhat (4.6. 1 9)-(4.6.2 1) has a unique solution C?) , where C?) E C2+a [A , Rn(J) ] . To prove (1) and ( I I ) i n the general case, w e need on ly observe that h(x, c?-I» E Ca,a [.(2 x A x Rn(l) , Rn(l ) ] from (i) and (ii). The proof is similar to that shown earlier. In the case of (1), we note that for components i, where D., H. > 0, dk) E C2+a,a [.0 x A Rn(l) ] I " by the same argument as above using Theorem 4. 1 .2. In Lhe case of (II), we note that for components i, where D. = 1-1. = 0, (4.3.37) exists and is unique since it is uniquely defined. Furthermore, it follows directly that if h(x, C)k-I» and 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 1 1 Cfk-I) i s Holder continuous in x and z with exponent a, then cfk) is also Holder continuous in x and z with exponent a, implying that cfk) E Ca,a [Q x /1 , Rn(l» ) . To prove (III)-(V) in the general case, we need only observe that F; (z, C)k-I» + Hi !a.a2 cfk -I) E Ca [/1 x Rn(J) , Rn(J)] from (i)-(v). In the case of (III), we note that for components i , where !i'i > 0, by the same arguments as above using Theorem 4. 1 .2. In the case of (IV), we note that for components i, where �i = 0, u · vcy) == 0 , dk) = I F (z C(k-I » + H·I c(k-I) I ' J I a.a2 I (4.3.38) (4.3.39) exists and is unique since it is uniquely defined. By the same argument as for the proof of (II), we see that (4.3.40) In the case of (V), we see that by (Hs) and (HiJ , z(z I , z 1 0, zo) ancl Yi(Z I , a, YiO; ZO) are unique sol utions of (4.3 .22) and (4.3 .24), respectively, on A I . Choose YiO = Ci, I (ZO) and note that if Z = Z(Z I , a , zo) , then because of uniqueness, Zo = z(a, Z I , z). Also, the solution (Z(Z I , a, zo), Yi(Z I , a, YiO; zo» of the systems (4.3 .22) and (4.3 .24) is a characteristic equation of (4.3 . 1 9). Hence, for each solution of (4.3 .22) and (4.3.24), we have (4.3.41) and consequent! y , (4.3.42) Now by using assumptions (Hs) and (H6 ) , it is easy to show that Cfk) (z) defined by (4.3 .42) satisfies (4. 3 . 19) . To show uniqueness of solutions of (4. 3 . 19) , we suppose, that Ci(lk ) and cg) are two solutions of (4.3 . 1 9) on A = A I X A n-l . By Theorem 3 .2.9 (Strong Comparison Theorem) for fi rst order partial differential equations, we see that cflk) $ cg ) $ cft) �U1d therefore cg) coinc ides willI cg). The Holder continuity of C? ) O , z) is obtained by examining the characteristic equations (4.3 .22) and (4.3.24), so that (4.3.43) Finally, we show that (fi ' fi ) and (ci ' Cj) are lower and upper solutions of (cfk) , CY» . To show that (Cj , Cj ) is an upper solution of (cfk) , C[k» , we need to only observe iliat D o2 ( - (k» > F. ( -: ) F. ( (k-l » > () . r\.., A - i V x Ci- Ci - Ji x, Cj - Ji x, Cj _ ill .loolA", 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 1 2 D.�(c.- C(k» + H · (c·- c(k» = fi. (c.-dk-I» > 0 on dQ2xA ' an I I ' " ' " - , - 9jv2(cj-cfk» + u · V(cj-cfk» + Hjs( cj-cfk» � F;(z, C)- F;(z, cfk-1» + HjJ (cj- cfk-1» iJn2 � ° in A, since Ii and Fj are monotone in Cj and Cj' respectively. We may therefore apply Lemma 4. 1 .8 (Maximum Principle) for the elliptic operator or Theorem 3 .2.6 (Strong Comparison Theorem) for first order partial differential equations or algebraic inequalities to conclude that (Cj ' Cj ) � (cfk ) , cfk» . Note that in the case for components i E 1 , where Dj = Hj = 0, we have - (k) > 1'. ( - ) 1'. ( (k-I) - (k- I) > () . r�IA Cj - Cj - Jj x, Cj - Jj X. Cj + Cj- Cj _ m .u", • and in the case for components i E J, where 9)j = U · V(Cj-Cfk» = 0, we need only observe that H·S( C·- C(k» > F(z C · ) - F(z C(k-l» + HJ (c·- c(k-l» > ° in A I I I - I ' J I ' J I (Jil2 I I - , since fj and Fj are monotone in Cj and Cj' respectively and therefore (Cj , Cj)�(cfk ) , cfk» . Similarly, (fj . C)may be shown to be a lower solution of (cfk) . C?' » and the theorem is complete.O To start off the iterative procedure, we IIced some continu ity properties of (fj , �j ) and (Cj ' Ci ) . The properties of the mapping !!J, from (cfk-I ) , C?-l » to (Cfk) , Cfk» are then given by thefollowing lemma. Lemma 4.3.6. Consider the BVP (4.3 .16)-(4 .3.21) and suppose that the assumptions (J-J I ), (J-J2) -(J-J�J hold. Let there exist (fi ' �i ) and (ci ' Ci ) which are lower and upper solutions of Sn ' En ' Assume that (i) For components j E 1. where Dj• Hj > O. £j . Cj E C2+a.a[Q X A . Rn( /) ] ; (ii) For components j E 1, where Dj = Hj = 0, £j ' Cj E Ca.a [Q x A , Rn(/ ) ] ; (iii) For components j E J, where 9Jj > 0, (dj ' Ej E C2+a lA, RII( J) ] ; (iv) For components j E J, where 9Jj = 0, U · VCY-I) $0, (dj ' Cj E C1+a [A, RII( J ) ] , and assumptions (Hs )-(H;') hold; (v) For components j E J. where 9)j = 0, U · VC;k-l) == 0, (dj ' Ej E Ca [ A . Rn(J) ] . Then the mapping !!J, from (e;k-I) , cjk-I» to (eV), dk» possesses the following properties: (II) fTis a monotone operator on the intervals I.fj , cd and l�j , Cd · 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 13 Proof We first consider !.he case when Dj, g}j > 0 for all components j. The natural imbedding of C2+a.a [.Q x A , Rn(l) ] into C2.a [.Q x A , Rn(l) ] and C2+a [A , Rn(J) ] into C2 [A, Rn(J) ] implies !.hat £j ' Cj E C2.a [.Q X A , Rn(l) ] and Sj' Ej E C2 [A , Rn(J) ] . The boundedness of .Q and A, together wiLh the fact that their boundaries belong to C2+a, shows that, if c;k-I ) (x; Z) E C2 [,Q , Rn(l) l (with A treated as a parameter space) and C?-I) (Z) E C2 [A , Rn(J) ] , then c;k-l) (x; Z) E Wi [.Q , Rn(l) l (with A treated as a parameter space) and CY-I) (z) E Wi [A , Rn(J) l for q > 1 . From Lemma 4. 1 .5, we may take q to be identical in both cases. This, in view of Theorem 4. 1 . 1 (Imbedding Theorem), yields that c;k-I) (x; z) E CI+a [.Q, Rn(l) l (wiLh A treated as a parameter spaee) and Cyk-l) (z) E CI+a [A , Rn(J) ] . From Lemma 4. 1 .3 , a may be chosen to be identical in both cases. From arguments similar to that shown in Lhe proof of Lemma 4.3.5, we see Lhat C;k-l) (X, z) E CI+a•a[.f2 x A , Rn(l) ] . I t is immediate that the proof of (I) fol lows from the choices (c;k-l) , CY-I» = (£j ' 9.j ) and ( (k-l) C(k-l » - ( - C- ) ' L 4 3 5 c j ' j - c j ' j In emma . . . All the oLher possible cases are treated similarly. We have shown that if (c(O) C(O» = (c· E ) then (dO) dO» > fI'(c(O) C(O» = (d1) C� l) and i f J ' J J ' J , ' , - J ' J ' " (c(O) C(O» = (c - C) then (c(O) C�O» < fI'(c(O) C(O» = (c(1) C( I » We have in fac t proved that the J ' J -J ' -J " ' , - J ' J ', . , ' • mapping fl'maps intervals I £j . C:j I and ISj ' Ej J onlO themselves. To prove (II), let Cjl > Cj2 E [£j ' cj l and Cjl , Cj2 E [9.j ' Ejl where (Cjl , Cjl)'?, (cj2 , Cj2) for all components j. We want to show that fIf(cj l . Cjl ) ?fIf(cj2 . Cj2 ) . Let (ui . Ui )=fI'(Cjl . Cjl )-fI'(Cj2. Cj2 ) . Then the monotone nondecreasing property of Ii and Fi implies tliat au· D· -' + f-I.u · = i-J . (C1 -C2) > 0 on aQ2xA , on " " , , - . , 2 f ' -�V U· + u · VU + IJ ·S'/U· = F(z C1 ) - F(z C2) + H· c'l - c2 > O m A , " " " • J " J ' (Jil2 ' , - , (4.3.44) (4.3.45) (4.3.46) and from Lemma 4. 1 .8 (Maximum Principle) for Lhe elliptic operator, or Theorem 3 .2.6 (Strong Comparison Theorem) for first order partial d ifferential equations or from algebraic inequalities, we see that CUj, Vj) � 0 or fIf(Cil ,CiI ) ?' fIf(Ci2 .Cj2 ) · This shows that S'is a monotone operator on the intervals [£j ' Cj ] and Le, Cd .O The monotone operator fIf will play a central role in Lhe iteration scheme. Remark 4.3.1 As with the unsteady state system Sn, Bn, we see that if Ii and Fj are strictly monotone increasing in Cj and Cj' respectively, then by Theorem 3 .2. 1 3 (Generalised S trong Comparison (Contact) Theorem), we see Lhat fI'(Cj l ' Cj1 » fI'(Cj2 , Cj2) , (unless S'(Cj l , Cjl ) =fI'(Cj2, Cj2 ) in which case the right hand sides of (4.3 .44) and (4.3 .46) are identically zero; but this happens only if (Cj l , Cjl ) =(Cj2 , Cj2 ) , from the strict monotone property ofli and F;). We say that the monotone operator fl'is monotone operator in the sense of COLLATZ [76] , i.e., (Cj t , Cjd ?' (Cj2 , Cj2 ) impl ies Lhat fI'(Cjl , Cjl » fI'(Cj2, Cj2 ) · 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 14 --- ----- -- Remark 4.3.2 As with the unsleady Slate problem, Sn, Bn, we see that iff; and Fj are monotone nonincreasing in Cj and Cj, respectively , the operator S' is alternating on the intervals [fj , c';] and [C , C\ ] i n the sense that (Cjb Cj2) � (Cj2 , Cjl ) implies that S'(Cjl , Cj2)�S'(Cj2 ' Cjl ) . To prove this, let (Uj , Uj ) = S'(Cjl , Cj2)­ S'(Cj2 , Cjl ) . Then the monotone non increasing property off; and Fj implies that Ju · D·_I +H·u· =fJ. (C-I -C-2 ) < O on Jfl2XA ' an " I I I - t -9J..V2U· + U · VU + fJ..%U· = F(z C -I ) - F (z C -2 ) + H·f (C·I - C·2) > 0 in A I I I I I I ' J I ' J I aD2 I I - , and from the same arguments as in Lemma 4.3.6, !!kjl � !!kj2 and PJCjl � PJCj2. It is necessary to choose a proper initial i teration to ensure that the sequences {(c�k) , Cfk» } are monotone sequences that converge to a solution of Sn , Bn and are within the intervals [fi ' cd and [�j , C\ ] . From Lemma 4.3.6, it is obvious that the monotonicity of these sequences obviously depend on the monotonicity off; and Fj and the initial iteration is taken to be either an upper or a lower solution which is required to satisfy certain inequali ties on the corresponding system. We may therefore use the in itial iteration (Ci(O) , G(O» = (Cj , CI ) to construct the sequence {(c?) , G(k» } from the following equations -!llV2C.(k ) + U · VC(k) + f-f .S'lC.(k ) = F(z C�k-I» + H· f e.(k-I ) in A I I I I I I ' J I aDz I ' or the sequence {(dk) , ��k» } with (dO) , ��O» = (fi ' C) may be determined from the equations JC(k) . D --'-+Hc(k) = H·C(k-l) on Jfl2xA I an I -I I -I ' _!ll.V2C(k) + U · VC(k) + If .S'lcCk) = F(z, C(k-I » + lI f c(k-l) in A. I -I -I I -I I -J I an2 -1 Note that the sequences {(elk) , G(k» } and {Cdk) , ��k» } may be obtained independently of each other. As for before, uniqueness and existence of sequences {(ej(k) , C;(k» } and {(dk) , ��k» } fol low from similar arguments for uncoupled scalar systems of nonhomogeneous linear elliptic differential equations, first order partial differential equations or algebraic equations by using the monotonicity properties off; and Fj. Definition 4.3.2. The sequences {(c(k) C�k» } and {(e(k) E(k» } with (c(O) C�O» = (c C-) and (e(O) E(O» = (c· C ) are -I ' -I I ' I -I ' -I _I ' _I I ' I , ' " called minimal and maximal sequences, respectively. We say that (fj, C) and (ci ' E; ) are minimal and maximal solutions respectively in the regions [fj , cd and [�j, Cd , if for any solution (cl, C i) of Sn , Bn where fi � Cj � ci and (;j � Ci � Ci , then fi � ci � ci and �i � Cj � E;. 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 15 From Lemma 4.3.6 together with the monotonicity o f ff, we shall show that the sequence ( dk), ��k» } with (f�O) , ��O» = (fi ' fi) is monotone nondecreasing and the sequence ( c?) , C;(k» } with (S(O) , �(O» = (Cj , C:j ) is monotone nonincreasing. Furthermore, (fj , fj ) � (Cj , C:j ) results in (dk) , ��k» � (c?), E;(k» for all k and pointwise limits (fi ' C) and (ci ' C;) exist. This is all done in the following lemma for S n ' Bn · The only difficulty arises for components i E J, where 9Jj = 0, U · VCfk) $. 0, and in this case we will assume in addition that the assumptions (H7) and (Hg) hold. Lemma 4.3. 7. Suppose in addition to the assumptions of Lemma 4.3.6, that ( dk), ��k» } are minimal sequences and ( c?) , �(k» } are maximal sequences of Sn , Bn . Also, assume that for components i E J, where 9Jj = 0, u .VC; ° for all j. We see that from Lemma 4. 1 .8 (Maximum Principle) for the elliptic operator that (u " Uj ) � 0 , i .e. cP» � c?) on !2 x A and E;(O) � E;(I) on if. This result also follows from the monotonicity of ff, since if (e" Cj ) � (ciO) , C;(O» , then ff (ci ' Cj ) � rrr(c-�O) C-.(O» = (c�l ) C(1» and (c�O) C(O» > (c(l ) C.( l) if we let (c�O) C(O» = (c C ) . v I " I ' , I " - , ' I I " P I 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 1 6 Therefore, from Lemma 4.6.5 , we conclude that c(1) E C2+a•a [.Q X A , Rn(l) ] and �(l) E C2+a [A , Rn(J) ] . By natural imbedding this implies that cP) E C2•O [.Q x A , Rn(l ) ] and �(1)E C2[A , Rn(J) ] . All the other possible cases are treated similarly so that (i) For components i E I, where Dj = IIj = D, C?)E Co.o [.Q x A , Rn(l) ] , (ii) For components i E J, where 9lj = D, U · V�(I) $. D, �(l) E cI [A , Rn(J) ] (iii) For components i E J, where 9lj = D, U · V�(l) == D, �(l) E CO [A , Rn(J) ] . In the case of (iii), we see that if (H7)-(Hs) are assumed, then from properties of aglebraic equations we see that CP) will be continuously differentiable in z. Therefore, if (H7)-(Hs) are assumed then in all cases for components j E J, CP) will be continuously differentiable in z. Furthermore, in all cases for components i E J, where Dj, H j > 0, it can be demonstrated from (4.3 . 1 8) that c?) will also be continuously differentiable in z. We may similarly show using by the definitions of upper and lower solutions and of minimal sequences, that c(O) � cq) and C�O) � C�l) • -I -I -I -I Now let (Uj , Uj ) = (cP) -d1) , �(l ) -�\1» . Then the monotone nondecreasing property of/; and Fj implies that -DjV;Uj = J;(x, cjD» - J;(x, f}O» = J;(x, Cj ) - J;(x, �) 2: () in f2xA, ()u. dCP) oc( l ) - -V. _I + II -u . = r v. _1_ + If.c� I) I- r v. -- I- + lI - c( l ) l = II (C.(O) _C(O» = Il · (c.-c. ) > 0 on o.Q2xA, 1 an 1 1 1 an 1 "I 1 all 1 �I 1 1 -I 1 1 _I - -9J·V2U· + U · VU· + fl .sf.U. =F(z C · )-F (z C - ) + J-J.f (c·-c · ) > 0 in A 1 1 1 1 1 I ' J I ' -J 1 aD2 "I _I - , and it follows from the monotonicity of fY, that implying that and Assume, by induction, that C-.(k ) < -c�k-l) and C-(k) < C�(k-l) I - I I - I ' for k= l , . . ,m . --------------------- 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 1 7 The only difficulty arises for components i E ./, where 9Jj = 0, u · VE;(k) $O and i n this case we cannot assume that in general, that the assumption (H(;) will be satisfied. However, in this case we can assume that (H1)-(Hg) hold so that CY-l) and CY-2) will be continuously differentiable in z for all } by earlier arguments. Thus for components i E I, where Dj, Hj > 0, it can be shown that c�k-l) will be continuously , differentiable in z from (4.3 . 1 8) , so that by assumptions (H1)-(Hg), F;(z, CY:-1» +HjJa C�k-l) will be continuously differentiable in z. For components j E I, where Dj = Hj = 0, we see thaf1n this case by assumptions (H1)-(Hg), F; (z, CY-l» w il l be continuously differentiable in z. IL then fol lows that (HARTMAN [ 1 19 , pp. 95-99]) assumption (H(;) will be satisfied in the general case. The functions (Uj , Uj ) = (cj(m) - c/m+1) , E;(m) - E;(m+l» and the monotone nondecreasing property of fi and Fj implies that D n2 - F( -(m-l» F ( -(m» > O ' r>., A - jV xUj - Jj X, cj - Jj x, Cj _ In �"I\.I1, a a-(m) a-(m+l) D,-.!!i + H u, = [D _Cj_+Hc�m) ] - [D Cj +11,c�m+l) ] = H(C,(m-l) -C,(m» > O on af22xl1 , an " ' an ' , ' an ' , " , - , -!lJ.V2U, + U · V U. + Hal).= F (z c(m» - F (z c,(m» + H f (c(m) - c,(m» > 0 in 11 " " " " I ' I I aD2 I I - , with similar inequalities in the boundary conditions. This ensures that from the mono tonicity of ffand proves that ((S(k) , E;(k» } with (clO) , E;(O» = (Cj , Cj) is a monotonic non increasing sequence. It follows from a similar induction argument that ((f�k ) , ��k» } with (dO) , ��O» = (fj , �j) is a monotonic nondccreasing sequence and by a similar induction argument cl-1) � f�k-l) and E;(k-I) � ��k-l) for k= 1 , . . . ,m ensures that crm+1) � dm+') and E;(m+I) � ��m+l ) . The following inequalities then hold for all k = 1 , 2, . . . It follows from the monotonic property of our maximal and minimal sequences, its boundedness by (fj , �j ) and (Cj ' Cj ) and the monotone convergence theorem that the pointwise limits I· « k) C(k» - ( . C ) 1m f, ' _j - fj , _j ,k�� I · (-(k) C-(k» - (- C- ) 1m Cj , j Cj , j , k�� exist. Therefore, for all k = 1 ,2 , . . . U 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 18 4.3.3 Existence of Solutions of the monotone system Sn ' En It can be shown that our minimal and maximal sequences ((dk ) . ��k » } and ((c?) . C;(k» } converge not only pointwise but converge uniformly (in appropriate function spaces) as well. The following theorem is an existence theorem for solutions to the monotone system Sn . Bn . This theorem shows the existence of at least one solution (Ci. Ci) of Sn . En lying between (fi . �i) and (Ci . Ci) Theorem 4.3.1 (Generalised Existence Theorem) Let the assumptions of Lemma 4.3.7 hold. Then the minimal and maximal sequences ((f\k) . �\k» } and fCc?) . C;(k » } converge monotonically and uniformly from below and above 10 (fi ' � ; ) and (ci ' E; ) respectively. where (fi ' � i ) and (ci ' C;) are solutions of Sn . En . Moreover (fi ' � i ) and (ci ' C;) are minimal and maximal solutions respectively of Sn. B n in the regions [fi t cd and [�i ' Cd . Proof We first consider the case with D i. 9)i > 0 for all i. Let f�k). c?) E C2+ a.a [ Q X A . Rn(l) ] and ��k � E;(k) E C2+ a [ A . Rn(J) ] for k = 1 .2 . . . . and let us consider the maximal sequence ( ci(k) . C;(k» } . We note that C2+a [Q. Rn(l) h;;: W� [ Q. Rn( l ) ] a n d C2 + a [ A . Rn(J ) ] c; W� [ A . Rn( J ) J for P I � (ml+2)/( l-a) and p2 � (m2+2)/( I-a) . From Lemma 4. 1 .5 . this impl ies that C2+a [ Q. Rn( l ) ] c; W.i [Q . Rn( l ) ] and C 2+a [ A . Rn( J» ) c; W,i [ A . Rn( J» ) . where q = min {P I . P2} . B y Theorem 4. 1 .4. we see that c?) (with A treated as a parameter space) and E; 1 , 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 121 (C(m) C(m» < (c C) = (c�m) C(m» _I ' -I - i t ' , ' I . Then we shall show that (C(m+l) C(m+l» < (C C) = (C�m+l) C.(m+l» _I ' _I - It , , ' I . From Lemma 4.3.6 (II) and from the definitions of {(dk� f�k) ) and fCc?! C;(k) ) . we arrive at (c(m+l) C(m+l» = ff(c(m) C(m» < (c - C) = UlT c · C) < ff(c�m) C.(m» = (c�m+l) C.(m+l» _I t _I -I ' _J - '" '-'\ " I - I " I " • Thus, it follows by mathematical induction that (C(k ) C(k» < (c C) = (C.(k) C.(k» -I ' -I - ' t I I ' I ' for all k = 1 ,2, . . . Hence, we have (�j ' �j ) � (Cj, Ci) � (ci ' C;) , Remark 4.3.3 Note that unlike the unsteady slate system Sn, Bn, we cannot assume that for the steady slate system Sn ' Bn that (fi ' �)=(Cj , C; )=(Ci, Cj) unless we have uniqueness of solutions of the system Sn ' Bn . We have given some uniqueness criteria in section 3 .3 for the system Sn ' Bn and these can be used to show that (�j , fi )=(C; , C;)=(Ci, Ci). Other uniqueness conditions for systems of elliptic equations are given by LADDE I et al. [ 153 , p. 1 2 1 ] and CARL and GROSSMAN [47] and may also be applied to our problem. These conditions arc used to show that our minimal and maximal solutions obtained by monotone iteration satisfy the inequalities (fj ' �j )?: (Cj ' C; ) and hence uniqueness is achieved. For the general system Sn ' Bn , which may possess no monotone properties, the following theorem follows from Theorem 4.2. 1 and summarises how we may set up monotone sequences for this general system which converge to a solution of a new system which may relate in some way to the solution of the original system Sn' Bn · Theorem 4.3.2 The general system Sn ' Bn for which Ii and Fj satisfies Lipschitz cOfl/inuity properties (Hi) and Holder continuity properties (H5 J , may be imbedded in a system S;n , B;n of twice the order which is coupled by monotone functions .f and Fj" 0/ the new dependent variables Vj and Vi. Moreover, all the solutions (Cj, Cj) of the general system Sn ' Bn are solutions of the new system, where Vj =Cj, Vn(l)+i = -Ci for i= ] , .. ,n(f) (4.3.53) and Vj = Cj, Vn(J)+i = -Ci for i= l , . . ,n(J). (4.3.54) Let (�j , Xi) and (Vj , �) be lower and upper solutions for the system S;n , B�n with continuity properties given in the assumptions of Lemma 4.3.6. Let also the assumptions of Lemma 4.3 .7 hold/or the system Sin ' S;n . Then the minimal and maximal sequences ( ��k) , .!:::�k ) } and ( v?) , V;(k) } of Sin ' Bin given by 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 1 22 Theorem 4.3.1 converge monotonically and uniformly from below and above to (.!:j ' !::j ) and (Vj , V;) respectively. where (}!.j. L ) and (vj • \1;) are solutions of s�" . iii" sat isfying the following inequalitites (4.3.55) (4.3.56) for all k = 1 .2 • . . . If furthermore, the system Si" , Bi" has a unique solution. then (.!:j , !::J=(Vj , V;) =( Vj, Vj) is the unique solution of Si" , iIin and all solutions (Vj, Vj) of Sin . Bin for which aw an' = 0 on a.f2lxA., aw 0.-' - /J (W - w ) = 0 on rJ!22xA. ' an I ' , ' (4.3.57) (4.3.58) (4.3.59) (4.3.60) (4.3.61) (4.3.62) for (Wj . ltj) = ( Vj + Vn(l) +j . W; + Wn(1)+j ) generates the unique solution (fj ' �j ) = (ej . C;) = (Cj . Cj ) of the general system S" , Bn . where . < (0) < ( I) < < (k) < . < . < - < -(k) < < -( I) < -(0) < -.!!, _ }!., _ }!., _ . . . _ }!., . . . _�, _ c, _ v, . . . _ v, _ . . . _ v, _ v, _ v, . < (0) < ( I) < < (k) < < < - <-(k) < <-(I ) < -(0) <-�(I)+j - .!:n(l) +j - .!:n(l)+j -· · · - Y.n(l)+j · " - Y.n(l)+j _ -Cj - vn(l)+j . . . - vn( )+j -. . . - vn(l) +j - vn(/)+j - vn( l) +j , for (x, Z) E .f2 X A. , Y 0, fj and Cj are continuous functions in n x A with continuous first order Xj derivatives in !2 x A and continuous second order Xj derivatives in !2 x A ; (ii) For components i E I, where Dj = Hj = 0, fj and cj are continuous functions in !2 x A ; (iii) For components i E J, where q'Jj > 0, �j and Cj are continuous functions in If, with continuous first order Zj derivatives in If and continuous second order Zj derivatives in A; (iv) For components i E J, where 9)j = 0, U · VCj $0, �j and Cj are continuous functions in A , with continuous first order Zj derivatives in A; (v) For components i E J where 9)j = 0, U · VCj ;: 0, C and Cj are continuous functions in If. The ordered pair o f functions (fj , C ) and (Cj ' Cj ) with fi :s; Cj on !2 x A and (;;'j :s; (:, 011 If arc said to be coupled lower and upper solutions of Sn' Bn respectively, if they satisfy: and de d� :s; 0 on d!2lxA, (Jc. D· --=!... < H· (C - e ) on dQ2xA , an - I - ' _I , _!llV2 C + U · V c + HI (C- e ) :S; F (z (;k ' C/ ) in A, , -, -" aQ2 -, -, -" .- dC VI C + q) � < VIC I on dAI _I 1 dnl - I , ' dC J _I :s; ° on dAa, a = 2, 3 , ana de _I � O on d,al xA, dn dC· -D· _I > H · (C - c·) on d!22xA 1 dn - 1 1 1 ' 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 124 -91.V2 C. + u . VC. + J-J. J (C·- c·» F(z Ck ' CJ ) in A, " " Bn2 " - , ' .- - dC VI C+ 91 --' > vIC I on dA I , ' :1 - I , ' ani dC, __ I ;:::: 0 on (fAa, a = 2, 3 , dna where L. i; E and � arc defined in (3.2.9)-(3 .2. 1 2) . Note that these coupled lower and upper solutions may be uncoupled into lower and upper solutions by the following substitution and v. = C· Vn(J)+,· = -C V = C V = -C · , , ' -, ' -' -" _ n(1)+i , . All the other properties of lower and upper solutions discussed earlier in this section are also valid for coupled lower and upper solutions although it must be noted that coupled upper and lower solutions must occur simultaneously. A A In order to establish an existence theorem for SrI ' Bn in terms of coupled upper and lower solutions, we define a transformation f7, by (C�k ) dk» = :!i(c(k- I ) dk- I» , ' I J ' J ' (4.3.63) and consider the sequences ( c}k) . cfk » } given in (4.3 . 16)-(4.3 .2 1 ) with c}k) satisfying the inequalities . < (k) < -. ' n A ' d C(k) " f ' th · I" C· < C(k ) < C-· · A f k - 1 f, - c, _ C, ill J..I: X an , salis ymg e mequa l lIes _, _ , _ , m or • . . . . The prop�rties of sequences ( c}k) , Cfk » } are similar to that discussed earlier. However, in the present case, the transformation f7, may not be a monotone operator and so although we may obtain bounds for the solutions, these bounds may not necessarily be improved by monotone iteration. Lemma 4.3.8 Consider the BVP (4 .3.16)-(4.3.21 ) and suppose that the assumptions (H I) , (I-J!J- (H4) hold. Let there exist (fi ' �i ) and (Ci . Cj) which are coupled lower and upper solutions respectively of Sn ' Bn wi t h < (k-I) < - f2 A d C < C(k-I) < C- A fj - Cj - Cj on J. x an _j _ j _ j on . Assume that (i) (ii) (iii) (iv) For componentS j' E I where D · /1 · > 0 C(k-I) E CI+a,a [D x A Rn(l) ] . , J' J ' J , . , For componenll' j' E I where D · = I-I · = ° c(k- I) E Ca,a [.Q x A R,,( I) I ' � , j J ' J ' . , For components j E J, where �j > 0, CY-1) E C1+a [A , R"(J) J ; For components j' E 1 where q; . = 0 u · VC(k-I) ,.., O C(k-l ) E Ca [ A Rn(1) ] and assumptions • , J ' J � . J ' (HS )-(I/(, ) hold; (v) For components j E J, where �j = 0, U · VCY-1 ) = 0, CY-l) E C a I A , Rn(J) I . 4.3 EXISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 125 Then the BVP (4.3 . 16)-(4.3 .21) possesses a unique solution (dk) , clk» , where (I) (II) (III) (IV) (V) For components i E I, where Di, IIi > 0, cfk) E e2+11, a[!2 x A , Rn(l) ] ; For components i E I, where Di = Hi = 0 , cfk) E el+ a,a [!2 x A , Rn(l ) ] ; For components i E J where �i > 0, efk) E C2+a [ A , Rn(J) ] ; For components i E J where �, = ° u · VC 0 c ' [, E C2+a, a [!2 X A Rn(l) ] . , J ' ) ' -} ' ) " For components j E I, where Dj = IIj = 0, fj ' Cj E CCX,Cl [!2 x A , R"(l) 1 ; For components j E J , where 9Jj > 0 , c;.j ' Ej E C2+a [ A , Rn(J) ] ; For components j E J, where �j = 0, U · veY- I) ;;=0, c;.j' Ej E C I+I1 [ A , Rn(J) ] , and assumptions (/-/5 )-(/-/;' ) hold; For components j E J, where 9)j = 0, u ' \lCY-I) == 0, c;.j ' Ej E e Cl [ A , Rn(J) ] . Then the mapping ff,from (clk-I) , Clk-I» ) to (cfk ) , Ci(k) ) possesses the following properties: (II) ffis an operator which maps the intervals [fj , cd and [(I ' Cd onto themselves. The following theorem is an existence theorem for solutions to the general system Sn , En . 4.3 EX ISTENCE OF SOLUTIONS TO THE STEADY STATE PROBLEM 126 Theorem 4.3.3 (Generalised Existence Theorem) Let there exist (fj , �, ) and (Cj , Cj ) which are coupled lower and upper solutions of Sn ' Bn w i t h continuity properties given in Lemma 4.3.9. Then there exists a solution (Cj , Ci ) of Sn ' Bn satisfying the inequalities (fi ' �j) � (Cj , Cj) � (Ci ' Ci) . Proof We first consider the case with Dj, !lJj > O. It has been shown by standard continuity arguments in Theorem 4.3. 1 and by the Agmon-Doulis­ N irenberg and Schauder estimates that (c? ) } and (Ci(k ) } are uniformly bounded sequences and hence are relatively compact in C2•O [Q xA , Rn( l ) ] and C2[A. Rn( J) ] respectively. This implies that there exists subsequences of (c�k) } and (C�k)} which converge in C2•O [Q x A , Rn( l ) ] and C2[/f, Rn(J) ] , respectively. The other cases follow similarly along the lines of Theorem 4.3. 1 .0 We note from the counterexample at the end of section 3 . 1 , that comparison thoerems analogous to Theorems 3 .2. 1 1 and 3.2. 12 do not hold in general in the case of the corresponding steady state or time independent problem Sn . Bn . Hence, if there exist (fj , �i ) and (ci ' Ci ) which are lower and upper solutions of the steady state monotone system Sn ' Bn or if there exist (fj , C) and (Cj ' Cj ) which are coupled lower and upper solutions of the steady state system Sn ' Bn which may possess no monotone property and (Cj, C) is a solution of Sn . Bn , then in contrast to the unsteady state problem S n, B n , we cannot assert that (hi , �i ) � (ci ' Ci) � (ci ' Ci) · We have shown in Theorem 4.3 . 1 that if Sn ' Bn is a monotone system, the method of monotone iteration is still applicable and shows the existence of at least one solution (Cj, Cj) of Sn ' Bn lying between (fi ' �i ) and (Ci ' Ci ) . We have also shown in Theorem 4.3.3 that if ,5n , Bn docs not possess any monOLOne property, then we can stil l show the existence of at least one solution (Ci, CD of Sn ' Bn lying between (fi ' �i ) and (li ' Ci) . However, if (Ci, Ci) is a unique solution of Sn , Bn . then comparison thoerems analogous to Theorems 3 .2. 1 1 and 3.2. 12 may hold in general in the case of the corresponding steady state or time independent problem Sn . Bn · Hence. if there exist (fi . C) and (ei ' C) which are lower and upper solutions of a steady slate monotone system Sn . Bn or if there exist (fi . �J and (ei . CJ which are are coupled lower and upper solutions of a steady state system Sn ' Bn which may possess no monOLOne property and (Ci. Ci) is a solution of Sn . En . then we can assert that (fi . �i ) � (Ci ' CJ � (ei . Ci ) · Note that in practice, it may only be necessary to find the existence of coupled lower and upper solutions when proving uniqueness and existence. Note also that we may simi larly define coupled lower and upper solutions to the time dependent problem Sn. Bn and prove existence along the lines of Theorem 4.3.3 (Generalised Existence Theorem) for nonmonotone systems. An example of this will be seen in section 6.6. Remark 4.3.4 In this section we have assumed that the boundary conditions (2. 1 04) and (2. 1 .7) are of the Robin type. We may treat the Neumann and Dirichlet type boundary conditions similarly by using appropriate theorems for linear elliptic equations with Neumann and Dirichlet type boundary conditions (see Remark 4. 1 . 1 . Remark 4. 1 .2 and Remark 4. 1 .4). In section 404 we shall discuss the relationships between the unsteady state and steady state problems and study the stability of solutions obtained by monotone iteration. 4.4 RELA TIONSHIPS BETWEEN SOLUTIONS OF THE STEADY STATE 127 AND UNSTEADY STATE PROBLEMS 4.4 Relatio�ships between Solutions of the Steady State and Unsteady State Problems In this section we use relationships concerning the asymptotic behaviour of l inear parabolic equations as t � 00 and their corresponding linear elliptic equations to make a statement about the relationships between solutions of the steady state problem Sn ' Bn and the unsteady state problem Sn, Bn. We may assume at the outset that the systems Sn, Bn and Sn ' Bn are monotone systems, in the sense that .fi(t, x, c) and .fi(x, Cj) are monotone nondecreasing in Cj and Fj(t, z, Cj) and Fj(z, C) are monotone nondecreasing in Cj for all i. This is not a restriction on the theorems of this section since if this monotone property is not satisfied then the functions (Wj ' M'i) defined by Cj = e-KX1 wj and Cj = e-Kzqiti in (4. 3 . 1 )­ (4.3.2), satisfies new systems of the same type but with new functions that are monotone nondeereasing in � and VIj. If, on the other hand the monotone property is not satisfied by all the other variables, then the systems Sn, Bn and Sn ' Bn with general functions .fi and Fj may be imbedded in systems S2n, B2n and S2n ' B2n , respectively of the same form where.fi(t, x, Cj) and .fi(x, Cj) are replaced by �(t, X, fk ' c/) and � (x, fk ' c/ ) , respectively for the first n(J) dependent variables Cj and by t (t, x, fk ' Cl ) andL (x, fk ' Cl ) , respectively for the next n(J) dependent variables fj . Also, Fj(t, z, Cj) and Fj(z, Cj) are replaced by F;(/, z, � k ' G;) and �(z, �k ' G;) , respectively for the first n (J) dependent variables � and by [j(/, Z, �k ' G;) and f..j (z, �k ' G;), respectively for the next n(J) dependent variables �j It has been shown by the imbedding results of section 3 .2 and section 4.2 that solutions of these new monotone systems may generate solutions of the original systems and therefore uniqueness, stability and existence may be implied in the original systems. We shall furthermore show in this section that such monotone systems are also useful in establishing relationships between solutions of the general steady state problem Sn ' Bn and the general unsteady state problem Sn, Bn which may possess no monotone property. s 4.4.1 Aymptotic Behaviour of the System Sn. Bn as t � 00. Firslly, �e shall assume that the systems Sn ' Bn and '�n ' Bn are monotone. Suppose that we have lower and upper solutions (fj , �j ) and (Cj , Cj) with (fj , �j )::; (Cj , Cj ) for the unsteady state problem Sn ' Bn , for all T > 0, and lower and upper solutions (fj , �j ) and (�j , Cj) , respectively wi� (fj , �j )::;(�, Cj ) for the steady state problem Sn ' Bn , such that (fj , �j) � (fj , �j) and (Cj ' Cj) � (S , Gj) as 1 � 00, uniformly for (x, z) E {), x A and Z E if . Suppose also, that ( dk ) , �� k» } and ( c?) , qk » } are minimal and maximal sequences respectively of the system Sn ' Bn and ( f� k) , ��k» } and ((alk ) , C,? » } are minimal and maximal sequences respectively of the system Sn ' Bn . Also, assume that relevant continuity properties are satisfied. It is very clear that from Theorem 3 .6.2 and Theorem 4.3 .2, we can by using induction, apply Theorem 4. 1 .6 concerning asymptotic behaviours of parabolic equations as 1 � 00 (or results for asymptotic behaviour of ordinary differential equations as 1 � 00 (LAKSIIMIIIANTHAM and LEELA [ 157, pp. 108, 229]) if D · = H· = 0 or 9). = 0) to the function pairs (c�k ) C� k» (C(k ) C(k » and (C� k ) C.(k » ( 2.(k ) C.(k » and I " -I ' -I ' -I ' -I I ' I ' I ' , ' deduce that for all positive integers k: and ( C.(k ) c.(k » -7 (2.(k ) (;0, there exists positive integers n(£) and N(£), independent of (x, z) E .Q x A and z E If , such that I C(, k) (X, z) - c,, (x, z)1< E , - - 2 -(.I: ) - e IC , ( z ) -C . (z)1< --, -, 2 ' ";;"(.1: ) ";;" £ ICj (x, z) - Cj (x, z)I <- , - - £ IC?) (z) -Cj (z)1< 2 ' whenever k � 1'1(£), N(£). 2 Further, there exists r(£, n(£» independent of (x, z) E .Q x A and r(£, N(£» independent of z E lf, such that I (n) ( ) -(n) ( )1 £ C,' t, x, z - C,' x, z <- , - - 2 (N) - (N) £ IC,' (I, z) - C,' (z)I <- , - - 2 I -(n) ( ) ";;"(n) ( )1 £ Cj I , X, Z - Cj X, Z <- , 2 1c,(N) (t z) - C(N)(z)1< E , ' , 2 ' whenever 1 > r(£, 1'1(£» , r(£, N(£». Therefore, I (n) ( ) ";;" ) fj I, x, z - Cj (X, z I< £ , I��N) (I, z) - Cj (z)I< £ , I-(n) ( ) ";;" ( )I Cj I, x, z - Cj x, Z < £ , -(N) -ICj (I, z) - Cj(z)I < £ , whenever t > r(£, n(£» , r(£, N(£» , which implies that 4.4 RELATIONSHIPS BETWEEN SOLUTIONS OF THE STEADY STATE 129 AND UNSTEADY STATE PROBLEMS -;; ( ) (n) ( ) < - ( ) < -(n) ( ) -;; ( ) -E + Cj x, Z < fj I, x, Z _ Cj I , x, Z _ Cj I, x, Z < E + Cj x, Z , whenever t > -r(E, n(E» , 1(10, N(E» , where (Cj ' G;) is the solution of the system Sn, Bn obtained by monotone iteration in Theorem 3.6. 1 (Generalised Existence Theorem). By applying Theorem 3 .6. 1 for arbitrarily large T, we can show that (Cj , C;) exists for all t � O. Therefore as t -700, uniformly for (x, z) E [). x A and Z E X. Thus, under the given condition�, the existence of exactly one solution to the steady state problem Sn ' En lying between (£j , �j) and (� , Cj) implies that, for any initial value (Cj.o , Cj,o ) lying between (fj , �j ) and (Cj , Cj) at t = 0, the unique solution (Cj, Cj) of Sn, Bn (for arbitrarily large 'J) will tend to the steady slate solution (Cj, Cj ) of Sn ' Bn as t -7 00, uniformly for (x, z) E [). x A and Z E X. From the uniqueness of the steady slate problem we see that the imbedding results of section 3 .4 and section 4.2 apply and this shows that this relationship will hold for the general systems Sn, Bn and Sn ' En which may possess no monotone property. 4.4.2 The Stability of Solutions Obtained by Monotone Iteration We shall consider the stability properties of the solutions of the system Sn ' En obtained by monotone iteration. Let us consider the following system in the general system Sn, Bn, where the fluid velocity distribution u(z) and the inlet fluid concentration Cj, 1 are independent of Lime. aCj _ D;'V;cj = !;(x, Cj) in (0, 1lx[).xA, at �� = ° on (0, TJxa.f2lxA, Dje;; = /lj(Cj - Cj) 011 (0, 'J'lxJ.f.l2xA, aCj _ 9J:V2c. + u · vc. + J D· aCj = F (z C -) in (0 TlxA at I I I an2 I an I ' J ' • J , vICj + fJ)jdfj = VICj I on (0, TjxaAI , anI ' �j = ° on (0, TJxaAa, a = 2, 3, ana Cj = Cj,O in [).xA, at 1= 0, Cj = Cj,o in A, at t= 0. (4.4.1) (4.4,2) (4.4.3) (4.4.4) (4.4.5) (4.4.6) (4.4.7) (4.4.8) Note that the solutions of Sn ' Bn are time independent solutions of the system (4.4. 1)-(4.4.8). We shall show that with the monotone iteration methods given in section 4.3, it is not possible to obtain unstable solutions. On the other hand. each solution obtained by monotone iteration is asymptotically stable at least from above or below and if solutions of Sn ' Bn are unique, the solution obtained by monotone iteration is 4.4 RELA TIONSHIPS BETWEEN SOLUTIONS OF THE STEADY STATE 130 AND UNSTEADY STATE PROBLEMS asymptotically stable both from above and from below. As earlier. we shall assume that the systems Sn . Bn and (4.4. 1 )-(4.4.8) are monotone systems. We have seen in section 3.6. that there may be geometric conditions on Ii and Fj which guarantee the existence of lower and upper solutions to the general system Sn. Bn. We have also seen in section 4.3 that there are geometric conditions onli and Fj which guarantee the existence of lower and upper solutions to the system Sn . En ' We now show that the existence of lower and upper solutions to the system Sn. En can imply the existence of lower and upper solutions to the special slstem (4.4. 1 )-(4.4.8) in Sno Bn. Suppose that (fj . qj) is a lower solution and (�. Cj) is an upper solution with fj � 2j on .Q x A and qj � Cj on A o�the system Sn. Bn and (Cj . Cj ) is a solution of the system (4.4. 1)-(4.4.8). where fj �Cj,O �� and qj � Cj,o � Cj . The functions and satisfy: and dfj 2 - --at-D/Vx fj � h (x. £j ) III (0. 11x.QxA. dc- d� � 0 on (0. Tjxd.(JjxA. dc D---=-� H· (C-c· ) on (0 11xdf22xA I an , -, _I ' , dC -=-- 9JV2 C+ u . VC+ lf .j (C- c ·) � F(z C . ) in (0 TJxA dr • _. _. . iJQ2 _. • . , -) • • dCj D V2 - > � ( - ) - (0 11 r>., --at - j x Cj - Jj X. Cj III • x')"AA. d� - _ . Dj dn � Hj (Cj- Cj) on (0, 11xdf22xA, de 2 - - J - --' - 9JV C+ u - VC+ H (C- c » F (z C .) in (0 T]xA at " " i)il2 " - , ' J • • 4.4 RELATIONSHIPS BETWEEN SOLUTIONS OF THE STEADY STATE 131 AND UNSTEADY STATE PROBLEMS � Ej � ° on (0, nxaAa, a = 2, 3 , ona respectively, so by Theorem 3 .2. 12 (Generalised Strong Comparison Theorem), since fj , (,j , aj and Cj are independent of t, dC' d('j da· dC, --=.!.. = _ = _I = _1 = 0 at at at dt ' (4.4.9) and the inequalities (fj , ('j) $ (Cj , Cj) $ (aj , Cj ) , (4.4.10) hold for all t > O. Note that in general, the existence of both lower and upper solutions to the special system (4.4. 1)-(4.4.8) in Sn, Bn does not imply the existence of both lower and upper solutions to the system Sn ' Bn ' In particular, if Cj 0 = Cj in nxA at t = 0 and Cj 0 = Cj in A at t = 0 or if Cj 0 = aj in .QxA at t = ° and _ t - t - I Cj,o = Cj in A at t = 0, we have Ihe following theorem. Theorem 4.4.1 If (fj , ('j ) is a lower solution of the system Sn ' Bn , then the solution (Cj ' Cj ) of the system (4.4.�)­ (4.4.8) with initial data Cj.o = fi in UxA and Cj,o = �'j in A is monotone nondecreasing in I. If ( ai ' Ci ) is a upper solution of the system Sn ' E,!) , then the solution (ci ' Ci) of the system (4.4. 1 )-(4.4.8) with initial data Ci,O =aj in .QxA and Ci,O = Ci in A is monotone nonincreasing in t . If (fi ' ('i ) is a lower solution and (ai , Ci ) is a upper solution of the system Sn ' Bn and (Cj , Cj ) is the solution of the system (4.4. 1t(4.4.8) with initial data either Cj,O = fi in .QxA an!! Cj,o = �j in A or ci,O = Ci in .QxA and Ci,o = Ci in A, then the inequalities (fi ' �j ) $ (ci ' CJ $ (ai ' Ci ) holdfor all t . Proof Firstly consider the case where (fj , �i ) is a lower solution of the system S n ' En ' and (Cj ' Cj ) is a solution of the system (4.4. 1 )-(4.4.8) with initial data Cj,O = fj in nx/\ and Cj,o = �j in A. We see that if (Cj , Cj ) exists then it satisfies dCj _ D/'V;Ci = Ii (x, c,' ) in (0, l1x.QxA, dt �� = ° on (0, TJXd.QIXA, Dj�� = Hj(Cj - c) on (0, 11 x d.Q2xA , aCj - !D.'V2c + u ''Vc +f o. dCj =F(z C) in (0 nxA dt 1 1 1 a!l2 1 dn I ' , ' , VtCj + flJ/fj = VtCi t on (0, T]XdAt , on l ' (4.4.11) (4.4.12) (4.4.13) (4.4.14) (4.4.15) 4.4 RELATIONSHIPS BETWEEN SOLUTIONS OF THE STEADY STATE 132 AND UNSTEADY STATE PROBLEMS ac. � = ° on (0, T]xaAa, a = 2, 3 , ana Cj = fj in .axA, at t = 0, Cj = �j in A, at t = 0. (4.4.16) (4.4.17) (4.4.18) The equations (4.4. 1 1)-(4.4. 18) are invariant under the transformation t -7 t + h, so let us consider the functions Cjh (l, x, Z) = Cj (1 + h, X, z) and Cjh (l, z) = Cj (l + h, z) with initial data Cjh (O, x, z) = cj (h, x, z) ? fj and Cih (O, z) = Cj(h, z) ? �i ' We therefore have the following equations aCjh _ DjV�Cjh = h ex, Cjh ) in (0, l1x.axA, at aCjh _ Dj an - Hj(Cjh - Cjh) on (0, T]xa.a2xA, aCih _ �V2Ch + u · VCh + J D· aCjh = F (z Ch) in (0 T] x A al I I I u!12 I an I ' ) ' , (4.4.19) (4.4.20) (4.4.21) (4.4.22) (4.4.23) (4.4.24) (4.4.25) (4.4.26) If we can show that Cjh (l, x, z) ? Cj (l, x, z) in !2 x A and Cjh (l, z) ? Cj (l, z) in If at or near 1 = 0, then the inequality holds for all greater I by Theorem 3 .2. 1 2 (Generalised Strong Comparison Theorem) noting that!; is assumed to be monotone and therefore need not be redefined. The continuity properties of the functions Cjh (t, x, z) and Cjh (t, z) near I = ° are satisfied by studying the behaviour of the solution near 1 = 0. Therefore Cj(1 + It, x, z) ? Cj (l, X, z) in !2 x A and Cj (1 + h, z) ? Cj (l, z) in If and hence C j is monotonically nondecreasin�Jn I and Cj is monotonically nondecreasing in t . The case where (2j , Cj ) is an upper solution of the system �n ' Bn , and (Cj , Cj) is the solution of the system (4.4. 1 )-(4.4.8) with initial data Cj O = � in.axA and Cj O = Cj in A is treated similarly. . , - We see from (4.4. 10) that if (fj , �j) is a lower solution and (� , Cj ) is a upper solution of the system Sn ' En and (Cj ' Cj ) is the solution of the systel!! (4.4. 1 )-(4.4.8) with initial data either Cj,O = fj in .axA and Cj,o = �j in A or Cj,O = 2j in .axA and Cj,o = Cj in A, then the inequalities (fj , �j ) � (Cj , Cj ) � (2j , Cj ) hold for all 1 .0 We shall now prove the fol lowing theorem. There are analogous proofs given in TEMME [282, p.67] and SATTINGER [258, p.36] for scalar parabolic and elliptic equations. 4.4 RELATIONSHIPS BETWEEN SOLUTIONS OF THE STEADY STATE 133 AND UNSTEADY STATE PROBLEMS Theorem 4.4.2 Consider the system (4.4. 1 )-(4.4.8) . If (fj , qj ) is a lower solution and (aj , Cj ) is a upper solution of the system Sn, En ' then under the assumptions of Theorem 3.6. 1 , lim Cj (t, x , z) = Cj (x, z ) and lim Cj (t, z) = Cj (z) exist , t�co t�oo where Furthermore, (Cj , Cj ) is equal a.e. to a classical solution of the steady state system Sn, En ' Proof By the monotone iteration procedure we can construct, for any T > 0, a regular solution to the system (4.4. 1 )-(4.4.8) for 0 � t � T, so the solution exists for all t > 0 and satisfies (4.4. 1 0). We may start the iterations with a lower solution (fj , qj ) and from Theorem 4.4. 1 , since Cj (t, -:: z) and Cj (t, z) are monotone nondecreasing with t and are bounded below and above by (fj , qj ) and (aj , Cj) respectively, lim Cj (t, x, z) = Cj (x, z) t�oo and lim Cj (t, z) = Cj(z) , t�co exist, where For the rest of this proof, we shall only look at the case when Dj, �j > 0 for all i. The other cases follow from standard results on ordinary differential equations and first order partial differential equations. First we prove that (Cj , Cj ) is a weak solution of the system Sn , En ' i .e. , and C E U[A Rn(J)] v2C· - u · V C· E U[A Rn(J)] 1 , , , I , , (4.4.27) (4.4.28) (4.4.29) (4.4.30) where we shall assume that A is considered to be a parameter space in (4.4.27) and (4.4.29) and where we use the inner product notation (-,) to denote the usual L2(D) inner product [or real functions, i.e., (u,V) = fDuvdx . Equations (4.4.29) and (4.4.30) arc equivalent to 4.4 RELATIONSHIPS BETWEEN SOLUTIONS OF THE STEADY STATE 134 AND UNSTEADY STATE PROBLEMS (Cj ,-V;*�j )-(fi (x, �), �j) = 0, (Cj , (_V2 + u · V + Hj.9l)* Ej-(F;(z, G)+HjJ Cj , Ej) = 0, u an2 where -V;* is the adjoint operator of -V; and (-V2 + u · V +Hj.9l)* is the adjoint operator of -V2 + u ' V +Hj.9l. Note that the Laplacian operators -V; and -V2 are self adjoint. The function (Cj ' Cj ) satisfies the system Sn ' Bn . Taking the inner product w ith the functions �j E CO'[.Qx A, Rn(/)] and Ej E CO'[A , Rn(J)] , we obtain aCj 2 (Tt, �j ) +(-V xCj , �j)-(fi(x, CJ ) , �j) = 0, ( a�j , Ej)+(-V2Cj + u · VCj+Hj.9lCj, Ej)-(F;(z, S )+ Hj Jan2 Cj , Ej) = 0, and partial integration of the second terms results in aCj 1= 2* 1= 1= (ar' ,:> j ) +(Cj, -Vx ,:>j )-(fi (x, u)' ,:>j) = 0, ( aa Cj , EJ+(Cj, (_V2 + u · V + Hj.9l)* Ej )-(F; (z, C;j)+Hi f Cj , Ei) = 0, I v an2 This inequality holds for ali i > O. So we have 1 JT ()Cj 1 JT 2* 1 JI' - - . 1 -- C -V . t-- . x c · . t= ° T 0 ( at ' �I)d T 0 ( . . X �I)d T 0 (fi( , (1) ' �I)d , 1 1' ()C . 1 1' 1 1' _ r (_I B)dt+- r (C- (-V2 +u ·V+J-I. .9I)*B)dt=- r (F (z C- )+H'f c · B)dt = O . TJo at ' 1 TJo " 1 1 TJo 1 ' J 1 anz " 1 Now let T --700; then 1 IT 2 * ' 2 * - (C (-V + u · V + J-I.SlI) ;:;'·)dt --7 (C. (-V + u · V + H SlI) ;:;'. ) T 0 I ' £ -" , , -" [rom the Lebesgue dominated convergence theorem and the uniform boundedness on the solution (Cj, Cj). Similarly, and ..!. rT( aCj 1= .)dt = ..!. rT�(c 1= ')dt = (cj (T, x, z), Sj ) - (Cj (O, x, z), Sj ) --7 0 T Jo at ' �I T Jo at I ' �I T ' 4.4 RELATIONSHIPS BETWEEN SOLUTIONS OF THE STEADY STATE 135 AND UNSTEADY STATE PROBLEMS Therefore, we get in the limit, as T � 00, that ( Cj , (-V2 + u . V + f(.9'I)* Ej)-(F; (z, Ci)+ l1jf cj , Ej) = O, oJ a{� for each �j E CO' [.Q x A , Rn(l) ] and Ej E Co [A , Rn(J) ] . Now we have to show that (Cj , Cj ) i s a regular solution o f of the system Sn, Bn . First, we note that Cj is uniformly bounded in .QxA and Cj is uniformly bounded in A , thus CjE U [.Q x A , Rn(/ ) ] and Cj E Lq [ A , Rn(J» ) . Then by Lemma 4. 1 .7 , hex, Cj )E Lq [.Q x A x Rn(/) , Rn(/» ) and F; (z, Cj)+HjS Cj E aD2 Lq [A x Rn(J) , Rn(J» ) . From Lemma 4. 1 .4, q may be chosen to be identical in both cases. Consider the boundary value problem - DjV;Wj = hex, Cj) in .QxA, oW _I = 0 on o.QlxA, on ow ' D -' + H w· = C on o.Q2xA 1 on 1 1 1 , - 9>.V2W + u · VW + /-J.sf.W. = F (z 6. )+ 11 · 1 (;. in A 1 1 1 1 1 I ' J 1 aD2 1 , oW ' VIWj + 9! � = Cj I on OA l , ani ' oW � = O on oAa , a = 2, 3. ana (4.4.31) (4.4.32) (4.4.33) (4.4.34) (4 . • 35) (4 . • 36) By Theorem 4. 1 .4, the boundary value problem (4.4.3 1) -(4. 4-.36) has a unique solution (Wj , Wi), where Wj E Wq2 [.Q , R n(/ » ) (with z treated as a parameter) and w,. E Wq2 [ A , R n(J) ] . From Lemma 4. 1 .5 , q may be chosen to be identical in both cases. Let g be the mapping (hat associates with each right hand term of (4 . l/.3 1 ) the unique solution Wj and G be the mapping that associates with each right hand term of (4.4.34) the unique solution Wj. The solution of (4.3.3 1)-(4, 4..33) may be written as Wj = -gfi(x, c) and the solution of (4.4.34)-(4.)).36) as Wj = -G( F;(z, Ci )+ l1j J Cj ) . v ail2 (4.4.37) (4.4.38) For Cj fixed, the operator g:U � Wi associating with each admissible right-hand term /; the uniqu�ly determined solution Wj, is the sum of a constant operator and a bounded linear operator. Similarly, for Cj, 1 fixed, the operator G:Lq � Wq2 associating with each admissible right-hand term Fj + Hj fa Cj , the uniquely . D2 4.4 RELATIONSHIPS BETWEEN SOLUTIONS OF THE STEADY STATE 136 AND UNSTEADY STATE PROBLEMS detennined solution Wj, is the sum of a constant operator and a bounded l inear operator. Thus g and G are continuous. We denote these operators by g and G because of i ts connection with the Green's function of (4.4.3 1)-(4.3.36); G is the inverse of the elliptic operator L with boundary conditions. We will simply call G the inverse of the elliptic operator L. For q = 2/( I-a) , Wj E Wq2[.Q , Rn(l)] (where A treated as a parameter space) and \-Vi E Wq2[A , Rn(J) ] and we may apply Theorem 4.1 . 1 (Imbedding Theorem) to obtain Wj E C1+a [.Q , Rn(l) ] (where A is treated as a parameter space) and Cj = Wj E C1+a [A , Rn(J) ] . From Lemma 4. l .3, a may be chosen to be identical in both cases. Thus we have and = (G(F (z C ) + H· f C. ) (-V2 + u , V + H..9f)* ;::· ) , ' J , aDz ' , , -, = «F;(z, Cj) + Hj faDz Cj ), G* (_V2 + U · V + Hj..9f)* Ej » = «F;(z, CJ. ) + HjJ Cj ), Ej ) aD2 - 2 * -= (Cj , (-V + u · V + Hj..9f) .!:.j ) , where g * and G* are the inverses of -V; and _V2 + U · V + Hj..9f respectively (see RIESZ AND NAGY, [248, p. l 04]) . Hence and thus ( - -. _t72* * , ) - ( ,_ -, _ , ) - 0 1.-1 , COO [ n A Rn(J) ] W, c" v x g 17, - w, c" 17, V 17, E 0 �.;: x , , because of the invertiblity of -V; and _V2 + U · V +Hj.s1 and thus of -V;* and (_V2 + u · V + Hjs()* . Thus Cj = Wj and Cj = Wj almost everywhere and (Cj , Cj) is a weak solution of the system Sn ' Bn . Bul Wj and Wj are continuous, so modifying Cj and Cj on a set of measure zero if necessary, we get Cj = W j E C1+a [.Q , Rn(l) ] and Cj = Wj E C1+a[A , Rn(J) ] . Again pulling Wj = -gfj(x , 9 (4.4.39) and (4.4.40) where g:Ci+a[.Q , Rn(J) ] � C2+a[.Q , Rn(J ) ] (with A treated as a parameter space) is the sum of a constant operator and a linear operalor which is bounded by the Schauder eSlimales in Theorem 4. l .3, thus g is continuous. Similarly, G: CI+a [A, Rn(J) ] � C2+1X [A, Rn(J)] is Lhe sum of a consLanL opera Lor and a linear operalor which is bounded by the Schauder estimales in Theorem 4. 1 .3, thus G is continuous. 4.4 RELATIONSHIPS BETWEEN SOLUTIONS OF THE STEADY STATE 137 AND UNSTEADY STATE PROBLEMS Therefore by Theorem 4.1 .2, we obtain that Wi E C2+a [.Q , Rn(l») and "'i E C2+ a [ J\ , Rn(J») and the same argument that Ci == Wi and Ci =="'i finally results in Ci E C2+a[.Q , Rn(l») (with J\ treated as a parameter space) and Cj E C2+a [ J\ , Rn(J» ) . By the same arguments in Lemma 4.3.5, it can be shown that Cj E C2+ a• a [.Q X J\ , Rn(l») and thus (Cj, Ci) is equal a.e. to a c lassical solution of of the system Sn' Bn as required. _ A similar proof may be obtained if we start the iterations with an upper solution (2j , Cj ) .0 We now show that the solution (fj ' �) o f Sn' Bn obtained bl.. starting the iteration a t (fj , �j) , is asymptotically stable from below and similarly, the solution (2; , Cj ) of Sn ' Bn obtained by starting the iteration at (2j , Cj ) , an upper solutio� of Sn ' Bn , is asymptotically stable froEI above. In the special case that (S , Cj ) = (fi ' �j ) ' we will have that (2j , Cj) , (fj ' �j ) are asymptotically stable both from above and from below. We have seen that each solution (s., Cj ) of the system (4.4. 1 )-(4.4.8), where fj � ci,O � 2j and �i � Cj.o � Cj satisfies (fj , �i )� (Cj ' Cj ) � (2j , Cj ) . Let (Cj , C; ) be the solution of the system (4.4. 1 )-(4.4.8) with initial data (C(O, x, z), C(O, z» = (2j , Cj ) and let (fj ' �) be the solution of the system (4.4. 1 )-(4.4.8) with initial data (f(O, x, z), QQ, z» = (fj , �j ) . By Theorem 3 .2. 12 (Generalised Strong Comparison theorem), each solution (Cj , Cj ) of the system (4.4. 1 )-(4.4.8) satisfies In particular, (fj ' f), satisfies (fj (X, z), �j (z» � (fj (t , x, z), fj (t , z»� (UX, z) , �j(z» , where (fj (x, z) , �j(z» is the solution of the system Sn' Bn , which is obtained by starting the monotone iteration at (fj (x, z), �j (z» since (L (x, z), �j (z» also satisfies the system (4.4. 1 )-(4.4.8). So (fj ' fj ) is bounded above and monotonically nondecreasing in t from Theorem 4.4. 1 ; thus lim (fj (t,x,Z),hj (t, Z» exists and is a solution of the system Sn ' Bn by Theorem 4.4.2. From Theorem 4.3 . 1 I�oo ... (Generalised Existence Theorem), we see that (fj (x, z) , fj (z» is a minimal solution. Therefore, we have, Each solution (Cj , Cj ) with initial data (fj , �j )$ (Cj,O, Cj,o) $ (fi ' �j ) satisfies (fj ' � ; ) $ (Cj , Cj ) $ (fi ' �i ) and so we have proved: Lemma 4.4.1 If (Ci ' Ci ) is a solution of (4.4. 1 ) -(4.4. 8) with initial data (fi' �j ) $ (Cj.o , Cj,o ) $ (fj ' �), t hen If (Cj , Cj ) is a solution of (4.4. 1 ) -(4.4.8) with initial data (2j , Cj) � (Cj,O ' Cj, o ) $ (2j , Ci ) , t h en lim (Ci ' Ci ) = (2i , Ci ) · I�oo I (fj ' f) = (aj , Ci) , then (fi ' fi ) ' (2j , Ci ) is asymptotically stable from above and from below. Corollary 4.4.1 4.5 NOTES AND COMMENTS 138 If there exists a lower solution (fj, �j) a!!..d an upper solution (2j , Cj) of the system Sn, En ' and if there is only one solution (fj , �) == {2j , Cj ) of the system Sn, En such that (fj , tj ) � (fj , �j ) and (aj , C;) � (aj , Cj ) , then this solution is an asymptotically stable equilibrium solution of the syst!.m (4.4. 1 )-(4.4.8) and ea.£.h solution of (4.4. 1)-(4.4.8) with initial data (fj , �j ) � (Cj,O , Ci,o ) � (2j , Cj ) tends to (fj , �) , (2j , Cj) as t � 00 . So, with the monotone i teration methods given i n section 4.3, i t i s not possible to obtain unstable solutions. On the other hand, each solution obtained by monotone iteration is asymptotically stable at least from above or below. If (fj , �j) == (2j , Cj ) , the unique solution obtained by monotone iteration is asymptotically stable both from above and from below. We have seen in section 4.3 that given an upper and a lower solution of the system Sn , En ' there exists a solution of the system Sn , En between these upper and lower solutions which can be constructed by monotone iteration. On the other hand given an upper and a lower solution and that there exists a unique solution of the system Sn, En between these upper and lower solutions, this unique solution can be constructed by monotone iteration and this unique solution obtained by monotone iteration is asymptotically stable both from above and from below. We have shown that uniqueness implies asymptotic stability for these class of problems. Note that this will not be true in general (LACEY [�O]) unless both upper and lower solutions exist. Also, from the boundedness of our solution (fj , �), (ij , Cj) of the system Sn , En and the boundedness of (Cj, Cj) of solutio�s of (4.4. 1 )-(4.4.8) for all time, it fol1ow�that the asymptotic stability and uniqueness of (£j , �j ) ' (2; , Cj) imply the global stability of (fj , �) , (ij , Cj ) in the system Sn, En ' Remark 4.4.1 In this section we have assumed that the boundary conditions (2 . 1 .4) and (2. 1 .7) arc of the Robin type. We may treat the Neumann and Dirichlet type boundary conditions similarly by using appropriate theorems for linear relationships concerning the asymptotic behaviour of linear parabolic equations as t � 00 and their corresponding linear elliptic equations with Neumann and Dirichlet boundary conditions (see Remark 4.1 .6). In all the cases of this section which involve the uniqueness of the steady state problem, we see that the imbedding results of section 3 .2 and section 4.2 apply and therefore all these results may be shown to hold for the general systems Sn, Bn and Sn, En which may possess no monotone property. 4.5 Notes and Comments As with Chapter 3, the imbedding results in section 4.2 may give a lot of useful information about solutions. However as we see in this chapter this information is more restrictive and relies on proving the uniqueness of solutions to the imbedded system. To obtain existence results in section 4.3 , where the nonlinearities obeyed no monotone property, we redefined our nonlinear reaction functions so as to obtain a priori bounds on our solutions and classical results were employed in order to obtain existence. This is a simple way of obtaining a priori bounds on our solutions but it is certainly not the only way. We could alternatively have employed functions that control the growth of the nonlinear reaction functions, thereby obtaining a priori bounds on our solutions (FI1ZGIBBON and MORGAN [9 1 ]) . As in our case, classical results could then also be employed in order to obtain existence. 4.5 NOTES AND COMMENTS 139 In section 4.3, we obtained the existence of solutions to the system Sn ' Bn by monotone iteration. This could alternatively have been established by embedding this system as steady state solutions of the system (4.4. 1)-(4.4.8) and using results of section 4.4 as t --) 00 to show that solutions of the system Sn ' En also exist. This also gives an alternative to the monotone iterative methods for obtaining minimal and maximal solutions (CHAN [64]). It is worth noting that in the definition of lower and upper solutions for scalar elliptic equations, if the nonlinearity term/is monotone decreasing in c, then the restriction f � C is not required but is a consequence of the differential inequalities (PROTIER and WEINBERGER [234] and VARMA and STREIDER [ 1985]). It is not clear how this relates to systems of elliptic equations. Systems of nonlinear elliptic boundary value problems arise in many applications such as multiple chemical reactions that take place in an isothermal or nonisothermal catalyst pellet and simple models of tubular chemical reactors (COHEN [73 , 75] and COHEN and LAETSCH [74]). Some of these systems of elliptic boundary value problems possess multiple solutions. This thesis does not examine mUltiple solutions. However there are many situations in particle reactors where this does occur (CHI et al. [70], LUss and AMUNDSON [ 173] ) and interesting cases occur with the problem Sn ' En if it has several distinct solutions or if the micro structures are in the presence of several distinct steady states (ARONSON and PELETIER [23]). Simple criteria for the existence of lower and upper solutions for elliptic scalar equations is discussed by AMANN [6, 9], as is nonexistence and general uniqueness theorems and this theory has also been extended in deriving multiplicity results, namely a criterion guaranteeing the existence of at least for example three distinct solutions. Some of these results may be generalised to the system Sn' Bn . 5 The Linear Problem 5.0 Introduction The nonlinearities in the system Sn, Bn generally reside in the chemical reaction terms, but at dilute concentrations, l inear approximations can be good enough. The validity of such linear approximations was tested against solutions derived numerically by orthogonal collocation techniques for a system governed by nonlinear Michaelis-Menten type kinetics (PARSHOTAM, et al. [226]). In this chapter, it is shown that linear systems of convection reaction-diffusion equations for particle reactors described in this thesis are shown to be amenable to certain geometrical factorization techniques which dramatically reduce the dimensionality of the system. These equations are also amenable to algebraic uncoupling transformations which simplify the tasks of obtaining analytic and numerical solutions or estimates. These same factorization and uncoupling techniques may be also applied to an associated linear system for vectors composed of the mean action time variable for each chemical component. These vector functions give the time lags for the various chemical outputs of the system during its transition from one steady output mode to another, and the mean first passage times and mean particle residence times corresponding to tracer pulse inputs of the chemicals. In section 5 . 1 , a general system of linear equations is described using matrix notation, dimensionless parameters and general undefined geometric configurations in order to focus attention on certain structural aspects of the equations. Section 5 .2 is concerned with a dominant transitory aspect of the system described by a mean action time variable defined for each chemical component in the micro and the macro systems. These variables satisfy an associated linear system of equations coupled to the system for the ultimate steady state solution and give a measure of the time for the Lransitions from one steady state to another. The ultimate steady outputs are given in terms of the final steady state solutions and the time lag constants for the various outputs are given in terms of the mean action time functions. A geomeLric factorization technique for these general linear systems is developed in section 5.3. For a general class of time dependent problems with factorised initial conditions, this factorization is best revealed in the Laplace transfonn domain but can be developed in t-space using convolution integrals. For steady state problems and for the systems defining the mean action times, a more obvious product factorization holds. These equations are also amenable to matrix transfonnations which uncouple the systems algebraically when the coupling maLrices are quasisymmetric in that they are the product db of a positive nonsingular diagonal matrix d with a symmetric matrix b. This is a common structural feature of linearised chemical kinetic cquations (MCNAl3l3 and BASS l189J). 1 40 5.1 MATRIX NOTATION 141 The macroscopic equations are assumed to be convection dominated here. This leads to two simplifications. The diffusivity 9J in the macroscopic equations is dominated by dispersion effects and so its diagonal elements are the same for all of the chemical components. In these circumstances, we may treat !J) as a scalar in the convection-diffusion equations. Secondly, the boundary conditions at output surfaces of the bioreactor may then be assumed to be of the Danckwerts type where the normal gradients of chemical concentration are all taken to be zero. These simplifications allow the macroscopic equations for steady state concentrations and mean action times to be algebraically uncoupled by matrix transformations. All boundary conditions except one are similarly uncoupled. On the outer boundary of the particles, a linear boundary condition of the fonn (5. 1 .3) below is assumed. This equates the flux out of the particles, defined by a diagonal diffusivity matrix D and concentration gradients normal to the surface, to the flux across a fluid boundary layer. In the common situations where I-I is a scalar multiple of D , this equation too remains uncoupled by the matrix transfonnations which uncouple the rest of the system. 5.1 Matrix Notation Our reactor occupies a region .1\, z denotes a poinL in this region and u(z) is the solenoidal fluid velocity distribution in A The n(J)-vector C(I , z) with components Cj (l, z) describes the concentration of the iLh chemical component. In the neighbourhood of any point z in .1\, there is a distribution of particles of various sizes and shapes and an active layer described by a region n attached to these particles. Points in n are denoted by x and the vector C(I, x, z) has n(J)-components Cj (l , x, z) describing the concentrations at time 1 at x in n, which is in the neighbourhood of the point z in A Each Cj is associated with the same chemical component as Cj (l, z) is outside (2 if Cj (l, z) exists. The diagonal matrix D has positive elements Dj in the ith row and column representing the diffusion constant for component i in Q. The reaction-diffusion behaviour in Q for a time span [0, Tj is assumed to be given by �� - DV ;c - ac = O in (0, Tjx.Qxi\, (5.1.1a) where a is an n(l)xn(l) constant matrix describing the rate of generation of chemical components Cj due to reactions with the other components. The region {2 is assumed to have an inner boundary a{2! defining the inert particle cores of our representative sample, and on this inner boundary we suppose there to be no flux of chemical and hence �C = ° on (0, Tjxa{2lxA Oil (5.1 .2) The outer boundary a{22 of n permits chemical exchange between the bioparticles and the reactor fluid. A boundary layer attached to dQ2 is assumed to allow a chemical flux H(C-c) between .1\ and {l where H is a diagonal matrix with terms describing the diffusive boundary layer flux for each component. It is not unreasonable in many cases to assume H to be proportional to D and when this is so, we write H = yD where r is the scalar constant of proportionality. The linear boundary cOl1lliLion dcrivcd by cl}uaLing Lhese fluxes to those in {2 near a{22 is dC D an = H(C-c) on (0,T]Xd{22xA (5.1 .3) Concentrations C in the macroscopic system are assumed LO satisfy the linear matrix system 5.2 MEAN ACTION TIMES, TIME LAG CONSTANTS AND MEAN RESIDENCE TIMES J,C - qJV2C+ u . VC -BC+ I D�C = 0 in (0, T]xA, ot aDz on 142 (5.1.4) where qJ is a diagonal matrix representing diffusion and dispersion effects in A, V2 and U · V are scalar operators on functions of z, B is an n(J)xn(J) constant matrix describing linear chemical kinetics and the integral term gives the chemical flux into .Q at (t, z). Let JAl , JA2 and JA3 denote three sections of the boundary of A. Fluid flows in through JA I carrying chemical components at given concentrations CI , so that (5.1.5) where VI = -u'nl is the scalar normal fluid velocity into A. Over dA2, there is no transport of fluid or chemical, so that dC J� = ° on (0, T]xJA2, (5.1.6) and the fluid flows out through the system over JA3 , where DANCKWERTS [79] type boundary conditions prevailing at high Peelet numbers are assumed, so that �C = ° on (0, TJxdA3. on3 (5.1.7) At any time t, the chemical output is q(t, JA3) over dA3, where q is an n-vector whose ith term qj, gives the flux of component i over JA3' If VJ = u'n3 is the fluid velocity on JA3, then At each point z in A, the inputs to .Q are likewise given by the flux vector q(t, d.Q2, z), where q(t, J.Q2 , z) = I D dc = I Ii(C - c) = IidC-IiI c , aDz dn aDz aDz and where d is the surface area of J�. (5.1 .8) (5.1.9) Let Ln denote the linear system of equations and couplings (5. 1 . 1 )-(5. 1 .4), and Bn denote the system of external boundary conditions, (5. 1 .5)-(5 . 1 .7) and the initial conditions c = Co in flxA, C = Co in A at t = O. (5. 1 . 1 0) 5.2 Mean Action Times, Time Lag Constants and Mean Residence Times Let us consider solutions (c, C) of the system Ln, Bn which start at t = 0 with Co and Co zero, and for which the given boundary veclor functions CI are independent of time. As time progresses, these solutions lend lo steady state solutions (c, C) , and the chemical fluxes q(t, JA3) , q(t, J.Q2, z) which start zero, gradually approach constant values q(JA3) , q(J.Q2 , z) . Let Q(t, dA3) , Q(t, d.Q, z) measure the accumulated fluxes across dA3 and d.Q2 respectively, in the lime t, so that 5.2 MEAN ACTION TIMES, TIME LAG CONSTANTS AND MEAN RESIDENCE TIMES = q(dA3)t - f�fali3 V3 [C:\Z) - C(s, z)]ds - f v3[C(z)t -3(z») . ali3 for large t, where 3(z) == f;[C(z) - C(s, z)]ds . Likewise, for large t, where Q(t, df22 , z) - J D�[c(x, z)t - -r(x, z») . aQ2 an -r(x, z) == f; [c(x, z) - c(s, x, z)]ds . 143 (5.2.1) (5.2.2) (5.2.3) (5.2.4) These vector functions Q(t, dA3)and Q(t, df22 , z) have l inear asymptotes for each component for increasing time, which intersect the time axis at times tddA3)j and tL(z, d.a2)j called flux time lags. The ith component of the vector tL(dA3) gives the time lag (5.2.5) for the chemical flux of component i over dA3, and the time lag (5.2.6) for the chemical flux of component i over d!h The vectors 'r(x, z) and 3(z) are the mean action time vectors for this problem (MCNABB and WAKE [ 1 90, 1 93]) and the following systems of equations are obtained for them from Ln , Bn. 2 f d-r ' -9)V 3+ u · V3-B3+ D-=C in A, ail2 dn (J3 -;-= 0 on dAa, for a = 2, 3, una (5.2.7) (5.2.8) (5.2.9) (5.2.10) (5.2.1 1) (5.2.12) 5.2 MEAN ACTION TIMES, TIME LAG CONSTANTS AND MEAN RESIDENCE TIMES where (c, C) are the steady slate solutions of Lno Bn, satisfying ac -D-= H(C - c) on a.Q2xA, an 2 - - - J ac . - 9)V C + u · VC - BC + D- = O m A, iJil2 an - ac VIC + 9) an = vlCI on aAI , ac -;--= 0 on aAa, for a = 2, 3. una 144 (5.2.13) (5.2.14) (5.2.15) (5.2.16) (5.2.17) (5.2.18) Various physical interpretations of these average times are discussed in some deLail for single component systems in McNABB and WAKE [ 190, 1 93] . The solution c, C above, corresponding to a step function boundary condition CI on aAI and zero initial conditions gives rise to another solution g, G for Ln, Bn given by G(l, z) = ac in (0, TjxA, at gU, x, z) = �� in (0, 71x.QxA. (5.2.19) (5.2.20) This solution is generated by a delta function pulse of particles of strength C I released on aAI at I = O. This pulse input can be regarded as a tracer solution giving a picture of various transitory aspects of the system. There are a number of natural time concepts associated with g, G which like the time lags for c and C, can be expressed as functionals of ,g and r. For example, the mean first passage time tt(aA3) for the chemical component i leaving A via aA3 is given by (5.2.21) (5.2.22) The mean residence time t; (A) for the ith chemical component in A is given by (5.2.23) Likewise, the mean residence tinle t;(.Q) at a point z in A is given by (5.2.24) 5.3 GEOMETRIC F ACTORISA nON and the mean residence time t; (.Q u A) for the ith component in !.be whole system is given by 1 45 (5.2.25) The time lags at aA3 for various chemical components coincide with their mean first passage times from the system, whereas the time lags for the fluxes to be established in the region D at any point z in A, and the mean residence times of the components in the same region D are different functionals of the mean action time vector 'f and the steady state vector c . 5.3 Geometric Factorisation The linear system of equations Lno B" in full geometric generality present a computational, dimensional crisis, since the solutions are defined in seven dimensions; three in x-space, three in z-space and one in time. This is marginally relieved by considering just steady state solutions. Fortunately the equations for (c, C) can be geometrically factorized in the following way. If n = n(J) = n(J), and all c are coupled to C by (5 . 1 .3) then the vector c (x, z) can be written as the product c(x, z) = O(x)SC(z) , (5.3.1) where 0 and S are nXn matrices, 0 is a function of x only and S is constant. If 8(x) satisfies the equations, -D''V; O - a O = O in D, ao = 0 on aDl an ' D �� = H (S- I - 0) on aD2, then (c, C) are steady state solution vectors of L", B", provided C satisfies, 2 • • - f ao · - 9)\1 C + u · \1C - BC + ( D-)SC = O in A, an! an ac -a = 0 on aAa, [or a = 2, 3. na (5.3.2) (5.3.3) (5.3.4) (5.3.5) (5.3.6) (5.3.7) The linear problems (5.3 .2)-(5.3.4) and (5 .3.5)-(5.3 .7) arc each in three dimensions only, and the first can be solved independently of the second for any given nonsingular matrix S. If D is nonsingular and positive definite, then equations (5.3 .2)-(5.3 .4) may be uncoupled by linear matrix transformations if a is "quasisymmetric" in the sense that a=db , (5.3.8) where d is a positive definite diagonal matrix and b is symmetric. Furthermore, if H and D are proportional in the sense that H=yD, (5.3.9) for ra positive scalar, then the boundary conditions are uncoupled by the same transfonnation. 5.3 GEOMETRIC FACTORISATION 146 In this case, there is a nonsingular matrix T with transpose T' for which T'd-JDT = J the unit matrix, and T'bT = j.1., a diagonal matrix. If we let (J = Tcp and S = y-l, then -V�Cp-j.1.cp= 0 in .Q, dcp dn = 0 on d.QJ , �: = r(J - cp) on d.Q2, (5.3.10) (5.3.1 1) (5.3.12) and hence, cp is a diagonal matrix. A similar geometric factorization works for rand 5, by expressing r in the form rex, z)= (J(x)S5(z)+ '(x)WG(z) . (5.3.13) Equations (5.2.7)-(5.2.9) are satisfied for 'l(x, z) if (J is a solution of (5 .3.2)-(5.3 .4) and '(x) is a solution of d' - = 0 on d.QJ dn ' (5.3.14) (5.3.15) (5.3.16) This system may also be uncoupled algebraically when the earlier conditions (5 .3.8)-(5 .3.9) prevail, by choosing (J = Tcp, S = T- J , W = T'd-I , and '(x) = T�(x) . The matrix cp given by (5.3 . 1 0)-(5 .3 . 1 2) is diagonal and �(x) given by the Helmholtz problem, d� dn = 0 on dQI , �� + r� = 0 on df2z, (5.3.17) (5.3.18) (5.3.19) (5.3.20) (5.3.21 ) (5.3.22) (5.3.23) is also diagonal. The coupling term f D dr in equation (5.2 .10) for 5(z) can be expressed in the form Jil2 dn (5.3.24) and O(x) and '(x) are given by (5.3 .2)-(5 .3 .4) and (5.3 . 1 4)-(5.3 . 1 6) , so that 5(z) and G(z) are given by coupled systems in the z variables. We note that in the algebraically uncoupled system, 5.3 GEOMETRIC FACTORISATION 147 (5.3.25) (5.3.26) The vector C(z) is given by the boundary value problem (5 .3 .5)-(5 .3.7), and in high Peclet number situations, the diagonal matrix 9) may be considered a scalar operator since all the elements are equal along the diagonal, each being a dispersive mixing parameter due to fluid motion that is almost independent of Dj. Since u · V is a scalar operator too, these equations are uncoupled by a similarity transformation 9'which puts the matrix B* given by into Jordan normal form. Let C = 9''/J, so that 9'-IB*9'= r, where ris the Jordan canonical form for B*. Then if Cj = !AJj , (hJ -a = 0 on aAa, for a = 2, 3 . na (5.3.27) (5.3.28) (5.3.29) (5.3.30) (5.3.31) In this form, each component '/Jj of '/J may be solved separately or iteratively. The equations for .J can be treated in a similar fashion, since from (5 .2. 10) , (5 .3.24), a.J - a = 0 on aAa, for a = 2, 3 . na Let .J(z)=9'S, so that � (i1\ as 0 aA vi': + ;;v- = on I , an as -a = 0 on aAa, for a = 2, 3. na (5.3.32) (5.3.33) (5.3.34) (5.3.35) (5.3.36) (5.3.37) 5.3 GEOMETRIC FACTORISATION 1 48 Once again, the components of the vector E are algebraically uncoupled and may be solved separately, or iteratively, depending on the nature of r. The geometric factorization described here has counterparts in other applied problems (MCNABB [ 1 85]), and can be generalised LO apply to some time dependent problems for which the initial value function co(x, z) can be factored. Suppose co(x, z)=u(x)cut:z), and e , C denotes the Laplace transforms and In the transform variable p, the system Ln, Bn gives -DV;e + (p - a)"c = co= u(x)cut:z) in ZxilxA, ae an = 0 on Zxa.alxA, D�� = 1I(C-C)on £X()!22xA, (5.3.38) (5.3.39) (5.3.40) (5.3.41) (5.3.42) (5.3.43) where Z is an appropriate strip of the complex p-plane. Once again we see e(p, x, z) is factorizable in the form c = Vi(p, x)SC (p, z) + 1E(p, x)WCU(z) , provided lji satisfies the boundary value problem, a- a � = 0 on zxa.a ) , D alji = !-I(S-l - lji) on Zxafh on and It satisfies tlle boundary value problem olt � = O on ZxoD1 , un D olt - 0 :l on + !-Ire = on Zxufh (5.3.44) (5.3.45) (5.3.46) (5.3.47) (5.3.48) (5.3.49) (5.3.50) Algebraic uncoupling may be pursued in a similar fashion since pl-a is of the form d(Pd-Lb) and matrix transformations can diagonalise pd-Lb and reduce d-1D to the unit matrix simultaneously. 5.3 GEOMETRIC FACTORISATION 149 If S(P) is of the form pS* then S-I (P) = ls*- I is the Laplace transform of a constant matrix S*. The p problems (5.3.45)-(5.3 .47) and (5.3.48)-(5.3.50) can be inverted and we find V/(I, x) is given by: Oil' -DV;V'- aV'== O in (0, oo)x.Q, ot �� == 0 on (0, 00 )xo.Q1 , D �� == H(S*-I - 11') on (0, 00)XO.Q2, 11'= 0 in .Q at l = 0, and n(1, z) by �; -DV;n-a1r == O in (0, oo)x.Q, on - == 0 on (0, oo)XO.QI' on on D on + H n == 0 on (0, 00 )X().Q2, n = W-Iu(x) in .Q at I = O. From equation (5.3 .44) and the observation that p Vi is the Laplace transfonn of all' , we find dl rl 011'(1 - s, x) e(l, x, z) = Jo 01 S*C(s, z)ds + n(I , x)W'U(z) . (5.3.51) (5.3.52) (5.3.53) (5.3.54) (5.3.55) (5.3.56) (5.3.57) (5.3.58) (5.3.59) In the transform space, C satisfies a conventional convection-diffusion equation but in I space, the integral term is a convolution inLegral in time, so that C(/, z) satisfies the nonhomogeneous partial differential causal integral equation, oC 2 J il 02 V'(t-s x) J on' . T-9JV C+u·VC-BC+ D ' S*C(s, z)ds==(- D-)W'U(z) 111 (0, TjxA,(5.3.60) ul aQ2 0 dlon aQ2 on Fortunately, a broad picture of the transient behaviour of the system is provided by the mean action time vecLors r(x, z) and �(z) and as observed earlier, they saLisfy equaLions which can be geometrically facLored in a simple way, and algebmicaUy uncoupled under very general circumstances. More detail concerning the nature of tracer distributions gj, Gj can be obtained from higher moments. The Laplace transforms If(p, x, z) and G(p, z) of the vectors g, G describing the solution of Ln, Bn, created by a delta function pulse of strength C) on oA I at 1 = 0, are given by the system, -DV;g + (pl - a)g == ° in Zx.QxA, (5.3.61) (5.3.62) 5.3 GEOMETRIC FACTORISATION a- -DJ... = H(G -g) on Zxa.a2xA, an 2- - - J dg -9JV G + u · VG + (pJ -B)G + D-= O in ZxA, aD2 an aa -= 0 on ZxaAw for a = 2, 3. ana. The definitions of g and G lead to the following expansions for small p: 150 (S.3.63) (S.3.64) (5.3.65) (S.3.66) _ 100 p2t2 p3t3 p2 g (p, x, z) = [ l- pt +----+ . . . ] g(t, x, z)dt = go (x, z)+pg) (x, z)+-g2(X' z)+ . . . , (S.3.67) o 2! 3! 2! _ p2 G (p, z)dt = Go (z) + pG) (z) +-G2(z)+. . . (5.3.68) 2! Equations (5.2. 19) and (5 .2.20) give the following connections between gn, Gn and functions defined earlier. The functions go and Go are equal to the steady state solutions (2, C) satisfying conditions (5. 1 .5) for CI since 100 ae A go (X, z) = - - dt = c(x, z) . o at The functions 81 and GI are given by --rand -g respectively, since roo dc roo g\ (x, z) = -Jo tal dt = I t (c - c)JO' - Jo (c - c)d/ = -rex, z) , and likewise (S.3.69) (S.3.70) (S.3.71) Differential equations for these functions 8m, Gm can be readily derived from the equations for g and G by differentiating the system (5 .3 .61) and (5 .3 .64) above with respect to p, m times, and putting p equal to zero. For example, the equations for 82 and G2 are ag2 = 0 on a.alxA, an D �: = J-J (G2 - 82 ) on a.f22xA, -9JV2G2 +u · VG2 - BG2 + J D a82 = 2g in A, aD2 an (S.3.72) (5.3.73) (5.3.74) (S.3.7S) (S.3.76) 5.3 GEOMETRIC F ACTORISA TION dG2 "l -- = 0 on aAa, for a = 2, 3 . dna 151 (5.3.77) These functions 82 and G2 lead to expressions for variances about the various mean first passage times and mean residence times discussed earlier. These equations also allow geometric factorization and algebraic decoupling. We assumed D was nonsingular in equation (5 . 1 . 1 ) and throughout this section. In many applications, there wil l be some chemical components Cj in Q which are immobile and for which Dj = O. Such components can only interact with the fluid concentrations C via the reaction tenn and interacting mobile ingredients. A more general linear formulation explicitly recognising the existence of immobile components in Q can be formulated by expressing (5. 1 . 1 ) in a partitioned matrix form (S.1.1b) where all the components of C2 are immobile in Q. For these ingredients, Hj like Dj is also zero. In reality, the boundary condi tions (5 . 1 .2) , (5 . 1 .3) have no relevance for C2. The geometric factorization of this section is still valid for singular positive semidefinite matrices D and H but the algebraic uncoupling procedure needs re-examination. Is there a nonsingular matrix l' with transpose 'J" for which Td-1D1' = J (5.3.78) and Tb1' = J.l, (5.3.79) where J.l is a diagonal matrix and J is diagonal with clements 1 or O? We wish to find matrices Tj, components of a partitioned form compatible with (5. 1 . 1 b) and diagonal matrices J.lj satisfying, and ( 1" J� 1" )( b 1� b� If the symmetric matrix b4 is invertible, this is possible if we choose J.l1 and 1'1 such that 1'1 (bl - b2 bilb2 )1'j = J.lI ' Tj dj"" IDI7) = I , 12 = 0 , 13 = -bi1b2 1[ and J.l2 and 1'4 such that (5.3.80) (5.3.81) (5.3.82) (5.3.83) (5.3.84) (5.3.85) 5.4 NOTES AND COMMENTS The algebraic uncoupling can then be accomplished as before. 152 There may also be some chemical components Cj which are immobile in A and for which q)j = O. The geometric factorization of this section is still valid for singular semidefinite matrices q) but the algebraic uncoupling procedure has to be re-examinied by expressing (5. 1 .4) in a partitioned matrix form similar to (5 . 1 . 1 b). The theory can also be extended to include the case when n(l) :f. n(J). 5.4 Notes and Comments This chapter is adapted from McNABB, PARSI IOTAM and WAKE [ 194] . It is very common to uses tracers (a detectable fluid which has similar properties to the flowing fluid) in particle reactors. The most commonly used methods for detecting flow maldistribution (such as "dead" zones and "stagnant" zones) utilize tracers (usually responses to impulses of tracers) and tracers can also be utilized in studying many other physical characteristics of particle reactors. The tracer-determined residence time distribution (RTD) has been utilized in the analysis of many kinds of flow systems, including chemical reactors, biological systems and underground reservoirs (ROBINSON and TESTER [250] , HANRATTY and DUDUKOVIC [ 1 14] . This time distribution for the fluid in a packed bed reactor for example reflects the combined history of the fluid flowing external to the porous particles in the reactor bed and the fluid which enters the porous structure. DANCKWERTS [79] popularised the tracer method by developing the mathematics necessary to interpret an inlet-outlet tracer experiment. A list of internal residence time distribution functions within particles and external residence time distribution functions within the bulk fluid in particle reactors from the time of Danckwerts to the present is given by ROBINSON and TESTER 1 2501 . In th is chapter we have shown how appropriate Ule definitions of mean first pass sage times and lI1ean particle residence times corresponding to such tracer pulse imputs of chemicals within such particle reactors are in order to achieve some useful results that rely only on solving uncoupled differential equations . Some of the other internal and external residence time distribution functions from l i terature may also be treated in a simi lar way. In (5 .3.78)-(5.3 .79) we look for a nonsingular matrix T with transpose 1" for which T'd-1DT = J and T'bT = j1, where j1 is a diagonal matrix and J is diagonal with elements 1 or O. This problem is equivalent to the simultaneous reduction of a pair of Hermitian forms one of which is nonnegative definite. A necessary and sufficient condition for the existence of such a transformation as well as its method of construction is given by RAO and MITRA l239, p . 120- 134J . The geometric factorization in this chapter has its analogy in uncoupling systems of linear first order differential equations by reducing Ulem to Jordan Canonical form. There is also considerable work on factorisation techniques for almost linear systems of first order differential equations. The geometric factorization in th is chapter may in a similar way be genera l ised to almost linear systems of ell iptic and parabolic equations. 6 Examples 6.0 Introduction This thesis w ith all its theory would not be complete without some suitable examples. In this ChapLer, we shall bring some of the theory developed in this thesis and look at some specific examples. The examples we shall present will generally be those that have motivated this study. Since these sections are written as completed published or publishable papers, there may be a repetition in the model development and problem description. In section 6.1 we look at an example where a kinetic model is proposed for a surface supported biological film (bioparticle) employed in many biological processes. The equations that govern kinetic and diffusion controlled substrate uptake by the attached organisms are invariably nonlinear and analytical solutions if any are impossible to find. It is therefore desirable to determine approximate analytical solutions, failing this, bounds for the exact numerical solution. This example represents an attempt to provide increasingly beLter bounds to such equations by a linearisation technique. An iterative scheme relying on the maximum principle is presented for obtaining upper and lower bounds to solutions to resulting non-linear reaction-diffusion equations. In particular, a spherical bioparticle with Michaelis-Menten type of reaction kinetics is considered. Its application to more general equations is also discussed. These bounds are in good agreement wilh the numerical solutions obtained by shooting and finite difference procedures. The method, which can easily be generalised to other geometries, is relatively simple to use and converges rapidly to a very good upper and lower bound. In section 6.2, a kinetic model is proposed for substrate conversion in a fluidised bed biofilm reactor (FBBR) where substrate conversion obeys Michaelis-Menten type kinetics. This model results in a reaction­ diffusion equation which is coupled in the boundary conditions to outside bulk fluid concentrations. Upper and Lower analytical bounds to the solutions are developed which agree with numerial results obtained by orthogonal collocation. In particular, i t is shown that if substrate conversion follows Michaelis-Menten kinetics, the bulk fluid concentration never reaches zero concentration in the bulk liquid nor in a bioparticIe. In section 6.3 , we shall develop and compare some monotone iteration methods. These methods prove not only to be powerful tools in constructive existence proofs but are also useful for numerical computation of solutions. These iteration schemes may produce either monotone or alternating sequences and under special conditions, Newton's method may be applied which accelerates the rate of convergence. The objective of this example is to help us to understand the relationship between the properties of the reaction functions and the resulting sequences. 1 53 6.1 EXAMPLES 154 In section 6.4, we shall look at a specific example from literature of a modified urea transfer model for predicting urea removal in a compact artificial kidney. Uniqueness and Existence theorems are developed for the steady state problem. The method of proving uniqueness and existence differs from the methods discussed in this thesis and we shall suggest how it may be useful for proving uniquenss and existence theorems for general systems discussed in this thesis. In section 6.5, we set out the equations for a tubular fluidised bed biofilm reactor (FBBR) problem of applied interest. The b ioparticle reaction kinetics involve three chemical components, a substrate s such as phenol or nitrogenous wastes which needs to be converted to harmless byproducts, oxygen 0, an active ingredient which helps faci lilate the reaction kinetics, and a product p which linearly inhibits the reaction kinetics. We shall look at the question of existence and uniqueness of solutions and see how these solutions relate to the steady slate solution. We shall also study the stability of this system. In section 6.6, we look at an example of a Continuous Stirred Basket Reactor (CSBR) from literature. This involves the study of a reaction inside porous pellets. The enzyme reaction kinetics involve three chemical components, a substrate s which is converted to a product p under the action of immobilised enzyme, e. The bulk fluid fluid involves only two chemical components, bulk substrate Sb which is introduced into the reactor as steady flow and bulk product Pb that is pnxluced in the reactor. This example is slightly different from the general model developed in this thesis but we find that this does not cause any d ifficulties. We shall study the question of existence and uniqueness to the time dependent problem illustrating the usefulness of the concept of coupled upper and lower solutions and using methods developed for arbitrary kinetics. We have chosen to concentrate on some specific examples throughout this chaptcr such as the fluidised bed biofilm reactor (FBBR) since it has motivated our study. Our development is also intended to be generally applicable to other particle reactor models. However, cerlain analytical approximations derived in this chapter may prove to be very useful to these specific systems but may not be favourable generally. 6.1 A SIMPLE METHOD FOR OBTAINING GOOD BOUNDS FOR 155 SOLUTIONS OF A BIOPARTICLE MODEL 6.1 A Simple Method for Obtaining Good Bounds for Solutions of a Bioparticle Model The biological growth attached to surfaces (commonly referred to as biofilms) is extensively employed in microbial processes such as fermentation and waste water treatment. Such processes give rise to reaction­ diffusion problems with non-linear kinetics. The solutions to these problems are usually obtained by numerical techniques such as the shooting method (PARSHOTAM [223] , McELWAIN [ 1 80]) and finite difference procedures (KELLER [ 140]) and the orthogonal collocation methods (VILLADSEN and MICHELSEN [296]). These approaches all suffer from the drawback that they require extensive computation. Various asymptotic techniques such as regular and singular perturbation are suggested for more general equations with very low and very high Thiele moduli (MURRAY [203] , FINLAYSON [90] and VEGA and LINAN [290] of parameter space. FINLAYSON [89] has used construction techniques by trial functions for finding bounding solutions. Numerical calculations for examples of such problems have been carried out by ANDERSON and ARTHURS [ 12, 1 3 ] using variational methods based on extremum principles and these methods were compared by TOSAKA and MIYAKE [284] using integral equation methods. In all previous work, except one isolated case of an unpubl ished work of VILLADSEN reported by ARIS [2 1 , Ch.3] , the maximum principle has not been used to directly generate approximate solutions to such differential equations. The method appears however to be adumbrated by VILLADSEN and MICHELSEN [296] . A technique was suggested by ANDERSON and ARTHURS [ 14] and VARMA and STRElDER [289] based on this method to directly generate approximate solutions and this method was shown to be much simpler than variational methods to use and could be applicable to situations when a problem admits multiple solutions and where the variational method simp , ly docs not apply. This method was also discovered independently by P ARSHOTAM, BI-lAMlDIMARRI and WAKE [225] and we shall discribe it in this section. It is interesting to note that the method discribed in this section has the disadvantage of producing a good lower (upper) bound and a weak upper (lower) bound. This method has recently been improved to find optimum lower and upper bounds tly REGALBUTO el al. [245, 2461 . The method has also been generalised to systems of equations exibiting multiple solutions (REGALBUTO el ai. [247]). It is also interesting to note that the methods of obtaining lower and upper bounds based on the integral representation of solutions that were introduced by TOSAKA and MIYAKE [284] have also been developed further (GARNER [98] and ASAITl-lAMBI and GARNER [24]). These methods result in sharp polynomial approximations to the solution, are compared to the methods of ANDERSON and ARTHURS [ 1 4] and are shown to yield sharper bounds with fewer integration steps. In this section we will use an iterative technique to obtain successive better bounding solutions and approximations. These approximate analytical solutions and bounding solutions are obtained via a Iinearisation technique which yields good upper and lower bounds to the exact solution and which apply to all parameter values. It can be shown analytically that this lower bound is always strictly positive which implies the solution to these type of reaction-diffusion equations is always strictly positive. The linearisation of Michaelis-Menten type kinetics with diffusion has been reported using Taylor's series expansions, (MURRA Y [203]) but has often been done at an arbitrary point. This approach invariably results in significant errors in solutions. At times, the point of linearisation can even be shown to be outside of the region in which the solution lies and even if the point of linearisation is in the region the solution lies, it could still result in a negative concentration as an approximation. In this work, a novel method is developed to determine a point for linearisation which would give minimal errors in solutions over parameter ranges of significance. It also produces good linear approximations to Michaelis-Menten kinetics over all parameter space and using these approximations, universal bounds are obtained for the solutions to resulting reaction-diffusion equations. 6.1 A SIMPLE METHOD FOR OBTAINING GOOD BOUNDS FOR 1 56 SOLUTIONS OF A BIOPARTICLE MODEL 6.1 .1 B iotilm Model Formulation For a biofilm supported on a spherical inert panicle shown in FIG. 6. l , if the mass-transfer within the biofilm is governed by Fick's first law and the biochemical reaction follows Michaelis-Menten type of kinetics, the substrate transport and reaction within the biofilm at steady state is written as where Rmm(S) is the Michaelis-Menten type reaction rate defined as kS Rmm(S) = -- . Km + S The boundary conditions are FIG. 6.1 Schematic of a bioparticle The dimensionless mass balance of the substrate in a spherical bioparticle may be expressed as with F(y) =-y_ , 1 + fiy and the corresponding boundary conditions are lea) = 0 and y(1 ) = I , where the variables arc S y = Sb ' r X =- , rbp and the parameters are r Sb 2 _ rlpk a = ...E!!. , fi = - and n. K 'I' - DK rbp m m (6.1. 1) (6.1.2) (6.1.3) (6.1.4) (6.1.5) (6.1.6) (6.1.7) (6.1.8) 6.1 A SIMPLE METHOD FOR OBTAINING GOOD BOUNDS FOR 157 SOLUTIONS OF A BIOPARTICLE MODEL 6.1.2 Upper and Lower solutions and Monotonicity Here we use the one dimensional maximum principle (pROrI'ER and WEINBERGER [234]) for solutions to y" (x) + H(x, y, i ) = 0, a < x < b with boundary conditions -i(a)cos () + y(a)sin () = Yl } i(b)cos w + y(b)sin w = Y2 ' (6.1.9) (6.1.10) where 0 $ () $ n12, 0 $ w $ nl2 and () and w are not both zero. We also have the condition that aHl dy $ O. This is given in Theorem 22 in PROTTER and WEINBERGER [234]. In our case, , 2 dy 2 y H(x, y, y ) = -- - I/J -- , x dx 1 +f3y (6.1 .11) and (6. 1.12) as required. Also a = a, b = l , () = 0, w = n12, Yl = 0 and 12 = 1 as required . Direct application of this theorem gives the following : Let y be a solution of the boundary value problem 1 �(x2 dY ) _ 1/>2_y_ = 0 , 7 IP2, {3 � O. (2) Assume Yl , Y2 > 0 (the slrict inequality i s shown in equation (6. 1 .2 1 » . (3) Lel YI be a Solulion of (6. 1 .4) with IPI: L[y J = _1 �(x2 dyl ) = t/,2_Y_l _ I x2 dx dx '1'1 1 + {3YI ' with boundary condilions yi (a) = 0 and Yl ( l) = 1 . (4) Lel Y2 be a Solulion of (6. 1 .4) wilh 1/J2: with boundary conditions Y2 (a) = 0 and Y2(1 ) = 1 . (5) Consider the equation L[Y2 J - IPf 1 Y f3 2 = (t/Ji - t/Jf ) 1 Y f3 2 < O = L[Yd- IPf 1 Y f3 1 . + Y2 + Y2 + YI Using the theorem in PraHer and Weinberger lhis gives Y2 � YI for a $ x $ 1 . (6) Look al the difference z = Y2- YI . The equalion below is obtained 1 d 2 dz 2 Y2 2 YI L[zJ = 2"-(x -) = L[Y2 - yd = L[Y2 J -L[yd = IP2---IPI --X dx dx 1 + {3Y2 1 + {3YI with homogeneous boundary conditions z '(a) = z( I) = O. 6.1 A SIMPLE METHOD FOR OBTAINING GOOD BOUNDS FOR 159 (7) Simplifying, since Y2 (x) � Yl (x) . SOLUTIONS OF A BIOPARTICLE MODEL (8) Therefore, we have the problem L[z]-rz ° for a < x < 1 iff -r < J11 ' where J11 is the principal (i.e. , leasl) eigenvalue of the problem Llp] + Jip = 0, with boundary condilions p'(a) = p( l ) = 0. This in lurn implies lhal Y2 > Y I for a < x < 1 . Thus Y is monolonically decreasing with , across the bioparticle.D The physical imporLance of" this is seen by noting that as the Thiele modulus, 2 increases (say k increases or D decreases), the substrale concentralion decreases. This is physically reasonable. Lower bounds Any linearisation by a Taylor's series expansion of 2F(y) will be strictly greater (for f3 ":f: 0) than 2F(y) and will lead to a lower solution, since F(y) � F(e) + (y-e)F'(e) for Y, e � 0. The linearised problem about some e E [0, 1 ] is (6.1. 17) where (6.1.18) and satisfies the boundary conditions t(a) = 0 and 2::(1) = 1 . (6.1.19) Solving for �(x), a lower bound is obtained to y(x) where 6.1 A SIMPLE METHOD FOR OBTAINING GOOD BOUNDS FOR 160 SOLUTIONS OF A BIOPARTICLE MODEL 6. cosh ",(1 - x) !J. sinh ",(1 - x) A. y(x) = + - -2 ' - x x '" and A. and !l. are determined by the boundary conditions (6. 1 . 1 9). (6. 1.20) Linearising lfJ2F(y) at various e and choosing the maximum lower bound over the whole region produces a good lower bound. Alternatively, knowing that �(x) is a lower bound, the region below its minimum, �(a) may be eliminated and we limit ourselves to l inearising ¢J2F(y) only in the interval e E [�(a) , 1 ] . Linearising lfJ2F(y) in the interval l(a) $ y(x) $ 1 does not exclude the possibility that a negative concentration may be obtained as an approximation. This situation would be avoided if the first approximation of the lower bound is strictly greater than zero and subsequent iterations produce increasingly better lower bounds. We do this as follows. The solution of the l inearised problem at e = 0 is taken as a first lower bound: ( ) alfJ cosh lfJ(x - a) + sinh lfJ(x - a) y x = -1 x[alfJ cosh lfJ(l - a) + sinh lfJ( l - a)] , (6.1.21) which is always strictly positive since all the terms in the above expression are positive. This is enough to guarantee that y(x) is strictly positi ve. A second linearisation is performed at e= l) (a) and a third at e = l2 (a) Subsequently, an nth linearisation performed at e = �n_) (a) would be an improvement on the previous iteration and would be positive. Upper bounds A trivial upper bound to y is Y such that and satisfies the boundary conditions HI) = 1 and Y'(a) = O . This has the solution aR lfJ COSh:l � (X- a) + sinh:l � - (x - a) _( ) 1 + f3 1 + f3 1 + f3 y x = x[a b coshb (1 - a) + sinh b (1 - a)] -y 1 +f3 -y1 +f3 -y 1+f3 and is an upper solution to y since for 0 $ Y $ I , F(y) � 1; f3 ' (6.1.22) (6.1.23) (6.1.24) and therefore y(x) � y (x) for a $ x $ 1 . Subsequent improved upper bounds are Yn ' where l(a) $ y(x) $ Yn (x) $ 1 and where Yn satisfies the equation 6.1 A SIMPLE METHOD FOR OBTAINING GOOD BOUNDS FOR 161 where SOLUTIONS OF A BIOPARTICLE MODEL 1 �( 2 dyn ) = -2- ., < th2F( ) -:2 X lI'nYn + lI.n - 'I' Y , x dx dx -2 = F(l) - F(l..n (a» and I = F(l) _ -2 lI'n l - y (a) n lI'n ' -n with the boundary conditions Yn(l) = l and y�(a) = 0 . Solving for Yn(x) , successive upper bounds are obtained to y(x) which depend on y (aL as -n _ ( ) _ A cosh Vln (1 - x) B sinh Vln(1 - x) In Yn X - + - -2 ' X X lI'n and where it and B are determined by the boundary conditions (6. 1 .27). 6.1.3 Results and Discussion In general, the following iteration scheme may be used to find lower and upper bounds for y(x) wiLh �n cosh lI' (1 - x) §.n sinh lI' (1 - x) A y (x) = n + n - -� , n = 1 , 2, 3, . . -n x X VI -n and where An and ll.n are determined by the boundary conditions as Similarly, with - ( ) _ An Cosh Vln(1 - X) Bn sinh Vln (l - x) In Yn X - + - -2 ' n = 2, 3, 4, . . x X lI'n and where An and En are determined by the boundary conditions as A- 1 In B"':""" = -A- Vlna sinh Vln(1 - a) + cosh Vln(1 - a) n = + -2 ' n n . lI'n lI'na cosh lI'n (I - a) + sinh lI'n (1 - a) (6.1 .25) (6. 1.26) (6.1.27) (6. 1.28) (6. 1 .29) (6.1.30) (6. 1.31) (6.1.32) (6.1.33) (6. 1.34) (6. 1.35) 6.1 A SIMPLE METHOD FOR OBTAINING GOOD BOUNDS FOR 162 SOLUTIONS OF A BIOPARTICLE MODEL The linearisations of F(y) are shown in FIG. 6.2 where V'� , tji;; , a:.n and In are functions of �n-I (a) . y ¢l2y 1 + f3 F IG . 6.2 Schcma tlc of succcssive IIneur hounds ohtalned for F (y) . Since a linearised solution (by a Taylor's series expansion) of equation (6 . 1 .4) would always be a lower solution, it is not expected lhal lhis ileralive scheme would converge to the exact solution every time. It does however perform very wel l within numerical l imils as shown in FIG 6.3. FIG . 6.3(a) shows the approximations for the variable y itself for typical parameter values and FIG. 6.3(b) shows it in terms or percentage relative errors, that is cYn - 1)% or (�n - 1)%. y y An arithmetic average of �3 and Y3 is also plotted (where Yay = (�3 + Y3 ) / 2 ) . In this typical example, lhe maximum relative error of Yay to the exact solution y(x) was shown to be 0.05%.The method is sensitive to an increase in the Thiele modulus, ¢l2 when ¢l2F(y) becomes very nonlinear. This is seen in FIG. 6.4. For diffusion limited reactions in bacterial films the Thiele modului are usually higher lhan those for films of moulds or yeasts (tjJ2 = 20 is sti l l considered to be physically ex tremely high) and this technique results in increased error between the exact solution and upper and lower bounds for such biofilms. The method is also sensitive to a decrease in a as seen in FIG. 6.5 .The linearisation technique may not therefore be as effective for thick biofilms with very small support particles or bacterial flocs. It is however, considerably better than , its first approximation which in the example of FIG. 6.5 where typical parameter values were chosen has a maximum relative error lO the exact solution of -64% (not shown complelely in this graph) and an average of �.' Y2 (a) and �3 (a) produce a maximum relalive error to the exact solution of only 0. 1 %. The iterative method produces an increase in relative error for intermediate values of f3 as shown in FIG. 6.6. The approximation . of Michaelis-Menten type of kinetics by either zero order or first order has been widely reported (BAILEY and OLLIS [3D)). However, such an approximation resulLs in a solution that is given by only the first iteration of the scheme presented in this work and may not be the best. On the other hand, this technique leads to a better approximation of the solution in a parameter space in addition to obtaining the universal bounds on the exact 6.1 A SIMPLE METHOD FOR OBTAIN ING GOOD BOUNDS FOR SOLUTIONS OF A BlOPARTICLE MODEL 1 63 solution. For instance, an average or upper and lower bounds after 3 iterations produces an approximate analytical solution of within 3% relative error over the parameter space of interest in biological systems, namely , q,2 E [0, 20] , f3 E [0, 00) and a E (0, 1 ] . a ) � -!:!. • .... ...:: -!:!. � ...:: -!:!. • �I b) � · �I � � � � I;;� � 0 81� �� ;0.., ;0.., � , � � �� . � tOO .95 .90 .85 .80 .76 LEGEND y (x) .................. l3(X) .-.-.-.-.-.- Yl(x) --------- ll(X) .-.-.-.- Y1 (x) .40 _____ Vex) .36'F-=.:-:.....---- --,.------r. -----.-----. ----� h � .7 B � to 6 0 -5 -10 ' -15 -20 -25 x -- - - - - - ._.-.-._- - - - -_0_- ,......., ...un." ......... aa,rr'-...ft-...n&.-..#'r_ ... _. - - - . : . . . . ' ..... ..... ..... .... -. ...... ...... ...... ...... ..... -.... ..... ...... ... -.. .. -... ..... �.�.� .:::: :::::': :':::: :: :'.:.:: . ::.::.: ::.::::: :: _-/ /' -------------------------------------- - � / / ,/,/ .-/' .-/'.-/' -- f--- /' /' / / /' � � /" LEGEND ---- y.,(X) .. -.. -.. -. Y3(X) .................. l3(X) .-.-.-.-.-.- Yl(X) --------- ll(X) '-'-'-'- Y 1 (X) --- ll (X) -30�----�r_----_y-----�-----r_----_1 b a .7 x i 9 to F!G. 6.3 (a) Successive upper lInd lower bounds 10 Ihe exacl solulion y (x) wilh a = 0.5, 92 = 16 and P = 1. (b) l'erccnlllgc rclulivc crror 10 thc cxucl solliliun y(x) with a = 0.5, ,2 = 16 und P " 1 . , 6 . 1 A SIMPLE METHOD FOR OBTAINING GOOD BOUNDS FOR SOLUTIONS OF A BIOPARTICLE MODEL 6� ----------------------------------------------�� : : --------- -- -- . - .:-�:�::=::.- o� ----------���-�--�-�-�-�-��-�-� .. � - m .. � .. � .. -� .. � .. �:.-�_�==�--� --�-"------------� -2 ' " --- ............ -.......... ----- - .. --- - - -- -- - -- - ---- - .. - -4 ' ''\ -- - -- --------------------- _____ _ -6' " -8 ' " -10 " " LEGEND 1 64 " " -12 ' _______ y •• (a ) -14 • '-" " '" -16 ' -18' -20 ' � � -22 ' tl tl � � -24 ' c "" � -26 " ........ ........ ........ -­--- J3(a) �3(a) Jl(a) �l(a) J I (a) ! I(a) � , t;'1 � � tl c � ,"" "" � , � � tl > � "" "" � � t;' � >:: ---- ------28 ' -- -���--��--�_r--r__r--r__r--r__r--r__r--�_r--��-�-�-��� o 5 411 10 15 20 FIG 6.4 Percentage relative error to y(a) with a = 0.5, fJ = 1 and various ¢l 20�----------------------------------------------------� 1 /::::�:;�:-;��-=�-::=:;;;;::.::--- --5 �\ ... ��:.::-.. --.......... -.. -......... -......... --.. -.. -------- .. ---.----- - - -10 \ --', -15 ......... . -------- -------- -- - -------- -- -45 -50 -55 -60 \ �� \ -�-------------- LEGEND \ ------- yn(a) '\ ------------ J3(a) '\ '\ -- .. ----.......... �3 (a) " '-,- .---- -- h(a) " --------- tl(a) "--65 -___ .. --- -- - J I ( a) � ---- -75 -r-----,r------r-----..------r------,-------T---.::..=.::;:..:===r===---,.-----J -- --- ! I (a) 0 ; 2 3 4 p 5 6 7 B 9 10 FIG 6.5 Perccntage relatlvc crror to y(a) with fJ = 5, 412 10 and vnrious a 2�--------------------------------------------, 0 -2 -4 -6 -8' -10' -- - -----==� �=- - - - - - ........................ .............. " ,- ,,/ , , , ,," , .-,-, , , ,/ ,/" , , , , , , , �� ..,,,.,. ..... - -- - - - - - --- / I / / / / / lEGEND / --y .. (a) / ----------------.. �3(a) / - - ------ - - - - Jl(a) / _________ �l(a) -12 / --- - -- .YI(a) �--.-- -..-- __r-___.r__-r__-,_---r--__.LI-____r---J ----- !I(a) .2 .3 .4 a .5 � ] B 0 .9 10 FIG 6.6 Perccntagc rclntlvc error to y(a) with a = 0.2, 41 2 IS und various fJ 6.1 A SIMPLE METHOD FOR OBTAINING GOOD BOUNDS FOR 165 SOLUTIONS OF A BIOPARTICLE MODEL 6.1.3 Conclusions and remarks The Maximum Principle may be applied to finding upper and lower bounds to a wide class of equations including reaction-diffusion type with nonlinear kinetics. The method developed in this section is that of obtaining a better linearisation of the nonlinear terms by narrowing down the region of linearisation. The method of obtaining successive bounds for these source or sink terms relies on the fact that these terms must be either concave up or down. The technique is sensitive to the diffusion parameter although the relative error of the approximate solution is significantly low. The linearisation technique offers a convenient method for obtaining the universal bounds for the exact solution which can be used for obtaining bounds for performance indicators such as effectiveness factors. Nomenclature constant, determined by the boundary conditions that relates to the lower solution � constant, determined by the boundary conditions that relates to the lower solution � constant, defined in eq. (6. 1 .32), that relates to the lower solution y -n constant, defined in eq. (6. 1 .32), that relates to Lhe lower solution y _n x constant, determined by Lhe boundary conditions tllat relates to upper solution Y constant, determined by Lhe boundary conditions Lhat relates to upper solution y constant, defined in eq. (6. 1 .35) that relates to upper solution Yn constant, defined in eq. (6. 1 .35) that relates to upper solution Yn effective diffusivity dimensionless Michaelis-Menten term, derined by eq. (6. 1 .5) rate constant Michaelis-Menten constant radial distance bioparticle radius support media radius Michaelis-Menten type reaction rate, defined by eq. (6. 1 .2) substrate concentration bulk substrate concentration dimensionless distance dimensionless concenLration a lower solution of y an nth lower solution of y an upper solution of y an nLh upper solution of y an average of upper and lower bounds Greek letters a ratio of support media radius to bioparticle radius f3 dimensionless Michaelis-Menten constant e point of linearisation rf Thiele modulus (ratio of Lhe reaction rale to diffusion rate) J. constant, defined in eq. (6. 1 . 1 8) J.n constant, defined in eq. (6. 1 .3 1 ) In constant, defined in eq . (6. 1 . 34) It' constant, defined in eq. (6. 1 . 18) !!!.n constant, defined in eq. (6. 1 .3 1 ) Wn constant, defined in eq. (6. 1 .34) 6.2 ANALYTICAL BOUNDS TO A MODEL OF A FLUIDISED BED BIOFILM 166 REACTOR (FBBR) 6.2 Analytical Bounds to a Model of a Fluidised Bed Biofilm Reactor (FBBR) A significant step in the numerical solution of packed bed reactor models was taken with the introduction of the method of orthogonal collocation to this class of problems (FINAL YSON [88]). This method was shown to be much faster and more accurate than that based on finite differences. The orthogonal collocation method for solving partial differential equations developed largely by VILLADSEN et al. [293-296] and FINLAYSON [88] has been found to require less computer time than standard finite difference methods. The method is now usually applied to and is particularly suited to the simulation of fluidised, fixed and packed bed reactors (HANSEN [ 1 1 5] ; KARANTH and HUGHES [ 135] ; RAGHA VAN and RUTHVEN [237]; HASSAN and BEG [ 120]), the simulation of an adsoption column (LIAPIS and RIPPIN [ 169]) and fixed bed catalytic reactor simulation with moving boundaries (GARDINI et al. [97]) . This method has now been the generally accepted procedure in numerically implementing such models. These models all involve reaction-diffusion equations involving interacting macro and microstructures where outside concentrations govern the boundary conditions for local behaviour. The equations that govern kinetic and d iffusion-controlled substrate uptake by the attached organisms in a fluidised bed biofilm reactor are invariably nonlinear and analytical solutions if any are impossible to find. This section considers such equations and demonstrates that although such equations may be diffucult to solve, it is relatively easy to provide analytical bounds on the solution. These universal bounds agree with numerical solutions for such equations with parameters found in chemical engineering literature but apply to all parameter values. It also provides us with approximate analytical solutions. 6.2.1 The Fluidised Bed Biofilm Reactor The fluidised bed biofilm reactor (FBBR) is a novel biological process which has been applied to both wastewater treatment processes and biochem ical manuracture. The application of lluid ised-bed biorilm reactors for biological wastewater treatment has been attempted by several resean:hes in recent years and include denitrification, nitrification and organic carbon removal (JERIS and OWENS [ 1 34]) . The fluidised-bed biofilm reactor is a high-energy high-efficiency reactor in which the liquid to be treated is passed upward through a bed of small support particles such as activated carbon or other support media at velocities sufficient to impart motion to, or lluidise the particles. Each particle offers a large surface area for biological growth, resulting in biomass concentration of an order of magnitude greater compared to conventional dispersed growth systems. The bed is seeded with microorganisms which eventually grow to form a biological growth known as a biofilm around the core particle. The very high growth support surface afforded by these bioparticles results in denitrification of volatile sol id concentrations as high as 30,000 mg 1-1 and a bed detention times as low as 6 minutes for 99% nitrate removal. In this work, predictive models for the lluidised bed biofilm reactor are developed. These models have existed for many years in l iterature and often with the axial d ispersion term being neglected (e.g. MULCAHY et al. [ 199-202]) The model is similar to the modified urea transfer model presented by LIN [ 1 70] in predicting the urea removal in a compact artificial kidney by microencapsulated urease particles. In both models, a simpler plug flow equation is usually used instead of a gencral dispersion one is employed to describe substrate concentration changes throughout the liquid phase. This is usually justified by the rather large Peclet number for the above systems when in operation (MULCAHY el. al. [ 199-202] and LIN [ 170]). The example in this section howevcr shall assume a more general dispersion model. -------- ----------- 6.2 ANAL YTICAL BOUNDS TO A MODEL OF A FLUlDISED BED BIOFlLM 167 REACTOR (FBBR) 6.2.2 The Fluidised Bed Biofihn Reactor Model Formulation The t1uidised Bed Biofilm Reactor, the typical schematic with bioparticles is shown in FIG . 6.7, consists of a column reactor in which granular media with high specilic surface area are Iluidised with nutrient solution. The key process components of this system with a uniform biof'ilm are: (i) reaction-diffusion within a single bioparticle (ii) Solute transport through rcac;tor flow cflluent out substrate reactant liquid in FIG. 6.7 Schcmatic of a FIlIlR with Illoparlicics Bioparticle-Reactor Model Development media llioparticic The mathematical model of the FBBR substrate conversion process is divided into two submodels. The "Bioparticle Model" is concerned with the intra-biofilm diffusion and substrate conversion by m icro­ organisms auatched to the individual support particles which are in a fluid ised state. The "Reactor Flow Model" discusses the hydraulic flow transport of substrate through a FBBR. The two models are coupled by biofilm-bulk liquid boundary conditions to yield an overall model for substrate conversion in an FBBR. We make the following simplifying assumptions Bioparticle Model 1 . Homogeneous biofilm of constant and uniform thickness 2 . Spherical support media of uniform size 3 . Internal diffusion of substrate is governed by Fick's first law 4 . Substrate-limited biochemical reaction described by Michaclis-Menten kinetics 6.2 ANAL YTICAL BOUNDS TO A MODEL OF A FLUIDISED BED BIOFILM 168 REACTOR (FBBR) Reactor Flow Model 1 . Liquid phase substrate transport is by plug flow convection and axial dispersion. 2 . No macroscopic radial gradients exist 3 . Bioparticle characteristics are independent of position w ithin the reactor 4 . No substrate conversion occurs in the liquid phase 5 . Cylindrical reactor Under these assumptions, the following differential equation is derived from a substrate mass balance across an axial reactor element where the observed substrate conversion rate per unit lluidised bed volume is given by R = NAD as(r) 1 v s a r r=rbp (6.2.1) (6.2.2) The number of particles per unit volume of the reactor is calculated from t11e total initial mass of the bed and the expanded bed height for a set of operating conditions. N _ Total mass of support material M - Mass of single particle = 41t'r;mPsm . Within a bioparticle the substrate mass balance on a differential shell may be written as: as -!2f.�(r2 as)+J.1mPbf (_S_) __ () f' 0 Z I .. L. lor r.fm < r < rbp' < J < I, I > 0, al r ar dr YX1S S+Ks with initial and boundary conditions S(I, r, Z) = 0 at 1 = 0 for rsm < r < rbp' 0 < 2 < h, as D s & = 0 at , = 'sm' 0 < Z < h, and outside the bioparticle in the external fluid, we have from (6.2. 1) and (6.2.2), aSb a2sb aSb aS I --Ds --+Us -+ NAD - = 0 1 > 0 0 < 2 < h a b az2 b az s a " , t J r r=rbp with initial condi tions at I = 0, 0 < 2 < It (6.2.3) (6.2.4) (6.2.5) (6.2.6) (6.2.7) (6.2.8) (6.2.9) and boundary conditions given by WEHNER and WILHELM [306] and DANCKWERTS [79] , respectively. Ds aa Sb = Us (Sb - Sb ;) at Z = O, t > O, b Z b , (6.2.10) 6.2 ANAL YTICAL BOUNDS TO A MODEL OF A FLUIDISED BED BIOFILM 1 69 D aSb = 0 at Z = h t > 0 Sb az J , . REACTOR (FBBR) In dimensionless coordinates, these equations have the form _ ay + 1 �(x2 ay ) = tjJ2 _y_ ar ? ax ax 1 + f3y -x ay + _1 a2y _ ay = � ay ar � az2 az ax 1 ay y + !fJ/" av = Yet, z) ay =0 av 1 ay Y ---- = 1 g'" dZ ay =0 az y(x, 0)=0 Y(z, 0)=0 where the dimensionless variables are in a < x < 1 , 0 < z < 1 , 1' > 0, in 0 < z < 1 , x = 1 , l' > 0, at x = 1 for 0 < z < 1, l' > 0, at x = a for 0 < z < 1 , r > 0, at z = O, 1' > O, at z = 1 , l' > 0, for a ::; x ::; 1 , for 0 ::; z ::; 1 , X = � y = -.£ y = .!iL Z D I , , , z = - and l' = -t-' rbp Sb,l Sb,l h rbp and the parameters arc At steady-state the equations take the following form _1 � (x2 ay) = tjJ2 _y_ x2 ax ax 1 +f3y _1 d2y _ dY _ � ay fi'e dz2 dz - dX 1 ay y + !fJ/" av = Y(z) ay = 0 av Y _ _ 1 dY = 1 � dz dY = 0 dz in a < x < 1 , 0 < z < 1 , in 0 < z < 1 , x = 1 , at x = 1 for 0 < z < 1 , at x = a for O < z < l , al z = 0, at z = 1 . (6.2. 1 1 ) (6.2.12) (6.2.13) (6.2.14) (6.2.15) (6.2.16) (6.2.17) (6.2.18) (6.2.19) (6.2.20) (6.2.22) (6.2.23) (6.2.24) (6.2.25) (6.2.26) (6.2.27) 6.2 ANALYTICAL BOUNDS TO A MODEL OF A FLUIDISED BED BIOFILM 170 REACTOR (FBBR) 3.2.3 The Numerical Solution · the Method of Orthogonal Collocation The general form of the model (equations (6.2. 12)-(6.2. 19» is solved numerically by converting the partial differential equations (pde's) to a system of ordinary differential equations (ode's). Orthogonal collocation, a method of weighted residuals, lends itself well to converting similar types of pde's to systems of ode's (RAGHA VAN and RUTHVEN [237], VILLADSEN et al. [293-296]). The resulting set of ode's can then be solved by a number of standard techniques. Weighted residual methods allow separation of the time and spatial dependency of a pde by approximating the exact solution with a series of products of time-varying coefficients and spatial basis or trial functions. The collocation method requires that the residual between the numerical approximation of the pde and its exact value be orthogonal to the Dirac delta function at specified collocation points. 11lis results in the residuals being zero at the collocation points (FINLAYSON [90]). Orthogonal collocation uses orthogonal polynomials as basis functions and specifies that the collocation points be located at the basis function roots. In this work we chose to usc Jacobi polynomials since it has this orthogonality property. The polynomials were constructed orthogonal to each other with respect to a weight function. The weight functions used in the construction of the polynomials for the different equations were chosen to make the numerical solution stable. We shall only be interested in this section in bounds for the numerical solutions at steady state. 3.2.4 Upper and Lower Bounding Solutions The equations (6.2.22)-(6.2.27) are interesting in that the coupl ing is found in the boundary condition (6.2.24) of (6.2.22). Also, (6.2.23) depends on the solution to (6.2.22). Despite these features, we are able to show that we can obtain comparison results as that found in (PARSHOTAM, BHAMIDIMARRI and WAKE [225]) . Suppose that we can find functions X, y, r and Y so that the rollowing differential inequalities arc satisfied for y and r : _I .i!.... (x2 dl.. ) � ¢J2� x2 ax ax 1 + (3"t. 1 d2 Y dY ay ---= - -= > ,---= � dz2 dz - ax 1 ay y + ----= $ Y(z) - fiX av - al.. $ 0 dV y _ _ l dI :S; 1 - � dz dK: $ 0 dz and the inequalities arc reversed ror in a < x < l , O < z < l , (6.2.28) in 0 < z < 1 , x = 1 , (6.2.29) at x = 1 for ° < z < 1 , (6.2.30) at x = a for 0 < z < 1 , (6.2.31 ) a t z = 0 , (6.2.32) at z = I . (6.2.33) y and Y . We see that the functions [.-K, r -K, J+K and Y +K for K positive constants satisfy conditions o f Theorem 3 .5.2 and so all solutions or (6.2 . 1 2)-(6.2 . 19) (including (6.2.22)-(6.2.27» are globally stable. This also 6.2 ANALYTICAL BOUNDS TO A MODEL OF A FLUIDISED BED BIOFILM 171 REACTOR (FBBR) implies uniqueness of solutions to (6.2.22)-(6.2.27) and so (see the end of section 4.3), it follows that the upper and lower bounds �(x, z) � y(x, z) � Y(x, z) (6.2.34) and K(z) � Y(z) � fez) (6.2.35) are valid. One way to obtain upper and lower analytical bounds would therefore be to choose two functions !... and 1 such that (6.2.36) For example, we may choose f=4>2y and 1=4>2 Y and let y(x, z) and [(z) be the solution to the - - 1+f3 -following system _1 �(x2 a�) = 4>2y x2 ax ax - 1 d2 y dY ay ---=--= = ,-= � dz2 dz ax 1 ay y +--= = Y(z) - Y;" av - ay -= = 0 av y _ _ l d[ = 1 - � dz dI = 0 dz in a < x < I , 0 < z < 1 , in 0 < z < I , x = 1 , at x = 1 for 0 < z < I , at x = a for 0 < z < 1 , al z = 0, al z = 1 . These equalions are solved analytically lO obtain the following equalions for y(x, z ) and nz) : and where ( ) _ [1 (z) [ 4>a cosh 4>(x - a) + sinh 4>(x - a) ] y x, z - -- ..:...---'-'----.:.----'---'.-� - c3x 4>a sinh 4>(x - a) + cosh 4>(x - a) (6.2.37) (6.2.38) (6.2.39) (6.2.40) (6.2.41) (6.2.42) (6.2.43) (6.2.44) (6.2.45) (6.2.46) 6.2 ANAL YTiCAL BOUNDS TO A MODEL OF A FLUIDISED BED BIOFILM 1 72 REACTOR (FBBR) C3 = 1 -_1_ + .L[ ¢a sinh ¢(1 - a) + cosh ¢(1 - a) ] fJJj. fIJI. ¢a cosh ¢(1 - a) + sinh ¢(1 - a) C4 = �1 + 4'cs � _ 1 m [ ¢a sinh ¢(1 - a) + cosh 1/>(1 - a) ] c3 - - + 'r c5 =--------�¢-a-c-o-sh�I/>(�I---a�)-+-s-in-h-I/>�(�I---a�) To find Y and Y we solve the following equations __ 1 � (x2 (fy) = Ly x2 ax ax 1 + {3 1 d2f dY _ , ay � dz2 - Tz - ax . 1 (fy - Y + fIJI. av = Y (z) (fy = 0 av - 1 dY Y --- = 1 .c¥'e dz dY = 0 dz in a < x < 1 , 0 < z < 1 , i n 0 < z < 1 , x = 1 , at x = 1 for 0 < z < 1 , at x = a for 0 < z < 1 , at z = 0, at z = 1 . where the solutions for y and Y are given as in (6.2.43)-(6.2.49) but with ¢ replaced by _ � . -'J 1 +{3 To show that constants C t , c2 > 0 we are only required to show that Cs > O. We note that O [ l/>asinh l/>(l-a)+cosh l/>(1 -a)] 1 � > = > I/>a cosh 1/>(1-a)+ sinh 1/>(1-a) = (I/» e2¢>(I/>-I) > e2a¢>(al/>-l) (al/» g 1/>+1 al/>+1 g (6.2.47) (6.2.48) (6.2.49) (6.2.50) (6.2.51) (6.2.52) (6.2.53) (6.2.54) (6.2.55) (6.2.56) (6.2.57) and this is clearly true since g can be shown to be a monotonically increasing function for 0 S:a < 1 and I/> > O. Finally, since Ct , C2 > 0, it follows that Y(z) > 0 since Y(z) > K(z) and K(z) is exponentially decaying and is strictly bounded below by zero . This in tum implies that y(x, z ) > 0, since J' is similarly strictly bounded below by zero. For a given set of parameter values found in l iterature, we plot a graph of analytical bounds [(z) and Y(z) with Y(z) obtained by orthogonal collocation (see FIG 6.8). --------- 6.2 ANALYTICAL BOUNDS TO A MODEL OF A FLUlDISED BED BIOFILM 1 73 REACTOR (FBBR) 1 .00 r--�--'------'-----"--�--"'---�---' 0.90 ..... . ......... . .... ......................... E I ... ..: � � >:'1 ................ ·············· .. r ................ . ........................ : O.BO - ....................... . 0.70 L-_� __ -'--_� __ .L-_� __ -'-_��._--l _ _ �_--l 0.0 0.2 0.4 0.6 O.B 1 .0 FIG. 6.8 Upper and Lower Bounds to Y (z) with a=0.3, 11=0.5, �=5, �=0. 1 , 9'" =20 and 9'.= 1 0 6.2.5 Conclusions and Remarks The method demonstrated in this work may be applied to finding upper and lower bounds to a wide class of such equations with reaction terms very nonlinear. In the problem demonstrated in this section, since the Michaelis-Menten reaction term is concave down, a lower bound is always obtained when this term is linearised by a Taylor's series expansion. This lower bOllnd is always strictly greater that zero and gives a good indication of concentrations al lhe outlet of llle reactor. For d i ffusion l im ited reactions i n microbial films where the Thiele modulus is very high, these bounds may not be so effective approximate solutions. The method is also sensitive to a decrease in a and may not therefore be as effective for biofilms with very small support particle sizes. For typical parameter values it is a very convenient method of checking numerical results as well as numerical results that involve very small concentrations. It can also be demonstrated analytically with the help of the maximum principle that dimensionless substrate concentration within a bioparticie is monotonically increasing with the parameters a, {3, .Y'hand monotonically decreasing with the parameter ¢fl. Also it can be shown that bulk concentration is monotonically decreasing with all parameters g:" .Y'h and ,. These properties can all be interpreted physica\1y. Nomenclature A cross sectional area, typically 20cm2 Ds effective diffusivity constant, typica\1y 1 -2xlO -6cm2sec-1 DSb axial dispersion coefficient h dimensional height of the reactor, typical ly 80-90cm 1-1 s Mass transfer resistance Ks Michaelis-Menten saturation constant (kg m-3) N number of bioparticles per unit volume 20- 100cm-3 g:, Peclet number given in (6.2.2 1 ) USb superficial l iquid velocity- typica\1y O. 1 -2cmscc- l r radial distance within a bioparticle 6.2 ANALYTICAL BOUNDS TO A MODEL OF A FLUIDISED BED BIOFILM 174 REACTOR (FBBR) Tsm support media radius Tbp bioparticle radius- typically 0.3-0.6cm fJJl. Sherwood number given in (6.2.2 1 ) S substrate concentration within a bioparticle Sb bulk substrate concentration which varies up the reactor (kgm-3) Sb,i input bulk substrate concentration (kgm-3) t actual time x dimensionless distance within a bioparticle y dimensionlesssubstrate concentration at position x of a bioparticle at height z Y dimensionless bulk substrate concentration at given height z YXIS growth yield Z height up the reactor z dimensionless height up the reactor Greek letters a ratio of support media radius to bioparticle radius f3 dimensionless Michaelis Menten constant X parameter g iven in (6.2.2 1 ) lfJ2 Thiele moduli given in (6.2.2 1) , typically 0-5 Jim maximum specific growth rate cOllstant Pb! biofilm density r dimensionless time , parameter given in (6.2.2 1) , typically 0- 12 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 1 75 UPPER AND LOWER SOLUTIONS 6.3 Monotone Iteration Techniques in the construction of Upper and Lower Solutions Although upper and lower solutions are useful in the investigation of qualitive properties of solutions and do prove to be good as approximate solutions (PARSHOTAM et al. [225, 226]), they can also be improved by monotone iteration techniques. The method of combining upper and lower solutions with monotone iterative techniques has proved not only to be a powerful tool in proving existence of solutions but has also recently been shown to be useful for numerical computation of solutions of boundary value problems for both scalar equations and systems of weakly coupled elliptic equations (GROSSMANN [ I l l ] , GROSSMANN and Roos [ 1 10], PAO [219-222]). The objective of this example is to help us to understand the relationship between the properties of the reaction functions and the resulting sequences. We examine some monotone iterative techniques and suggest how such techniques may be useful for numerical computation of solutions of the general system Sn , Bn. Several monotone iteration methods are given by KELLER [ 1 41 ] for scalar elliptic equations. These provide us with either monotone sequences, alternating sequences and in some cases monotone sequences with accelerated convergences. These sequences are all obtained with the help of the strong maximum principle for the ell iptic operator. In this section, we shall look at the problem developed in section 6.2 but for more general arbitrary reaction functions and show that although this problem is non standard in that it involves elliptic equations which are coupled in the boundary conditions in a functional way, we can also obtain similar monotone sequences. These are also obtained with the help of the strong maximum principle in various ways. An iteration scheme is set up which generally results in solving either coupled or uncoupled linear differential equations. These iteration shemes may produce either monotone or alternating sequences and under special conditions, Newton's method may be applied which accelerates the rate of convergence. A lower or an upper solution is taken as a good candidate for a first iteration. 6.3.1 Upper and Lower Solutions Consider the boundary value problem where and �y = ¢J2 f(x,y) Lz.Y = (�� = (.9Jt.(Y - y) 1 ay y+ fIJI. av = Y(z) ay =0 av y __ l dY = 1 � dz dY =0 dz 1 a 2 a � =--(x -) x2 ax ax ' in a < x < I , 0 < z < I , (6.3.1) in 0 < z < I , x = I , (6.3.2) at x = 1 for 0 � z � I , (6.3.3) at x = a for 0 � z � I , (6.3.4) at z = 0, (6.3.5) at z = I , (6.3.6) (6.3.7) (6.3.8) 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 176 UPPER AND LOWER SOLUTIONS A lower solution to this problem is a function (�, .D satisfying �I ;;:: �Y,4(I - �) 1 oy �+ y", 0; �I(z) o� < 0 OV - 1 dY Y---=-�l - � dz dY -=- � O dz in a < x < 1 , 0 < z < 1 , i n 0 < z < 1 , x = 1 , at x = 1 for ° � z � 1 , at x = a for 0 � z � 1 , a t z = 0, at z = 1 . An upper solution to this problem is a function (y, y) satisfying � y � �y,4(Y - y) 1 oy -y+ y,4 OV ;;:: Y(z) oy > 0 OV - - 1 dY Y---� l � dz d Y = 0 dz where (�, .D� (y, Y) . 6.3.2 Monotone Iteration Methods in a < x < I , 0 < z < 1 , in 0 < z < 1 , x = 1 , at x = 1 for 0 � z � 1 , at x = a for 0 � z � 1 , at z = 0, at z = 1 , (6.3.9) (6.3.10) (6.3.1 1) (6.3.12) (6.3.13) (6.3.14) (6.3.15) (6.3.16) (6.3.17) (6.3.18) (6.3.19) (6.3.20) We shall assume that Yn and Yn+l arc restricted to the set min � � Yn, Yn+ 1 � max y and that Yn and Yn+l arc restricted to the set min r � Y n, Y n+ I � max Y . In each of the following methods, we shall define transformations fft and !J2 from (Yn, Yn) to (yn+l ' Yn+l ) and show that lhese transformations have some sort of a monotone property. In the general case, we shall mean that fft and !J2 are monotone in the sense of COLLATZ [76] , i .e., i .e . , Yn � Yn+l and Yn � Yn+l implies fftYn < fftYn+l and !J2Yn < !J2Yn+l . The monotone property of transformations fft and !J2 are shown to usually depend on the properties of the function f. In all these methods BI and B2 are relevant boundary operators. Assume, for the first three methods thatf is a smooth function on min � � Y � max y and that ,/,2 of 'I' oy ' is bounded below for a < x < 1 and min :f ::; Y ::; max .y , so that Al2 at _ m < 0 'I' oy , for m sufficiently large. (6.3.21) (6.3.22) 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 177 UPPER AND LOWER SOLUTIONS Define Then by assumption, implies that F is decreasing. The quantity is F(x, Yn+I ) - F(x, Yn ) , so that for Yn � Yn+l , Method 1 We define the (nonlinear) transformations fli and f!li as follows: and if 1 dYn+! ( Yn+! + fIJ/" ---av = Yn z) dYn+! = 0 dv y _ _ l_dYn+ l _ l n+1 .'Y'e dz - d Yn+ 1 = 0 dz in ex < x < 1 , 0 < z < 1 , in O < z < l , x = l , at x = 1 for 0 � z � 1 , at x = ex for 0 � z � 1 , at z = 0, at z = 1 . (6.3.23) (6.3.24) (6.3.25) (6.3.26) (6.3.27) In this method, the equations for Yn+ 1 and Yn+ 1 are uncoupled and we show that both ffi. and f!li are monotone in the sense that Yn � Yn+1 and Yn � Yn+ 1 impl ies fliYn < fliYn+ 1 and f!liY" < f!liYn+ I . We have, i f Yn � Yn+ l and Yn � YII+ I (LI - m)fJjYn = (LI - m)YII+I = 1// f(x, Yn ) - mYn in ex < x < 1 , 0 < z < 1 , and 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 1 78 dYn+l = 0 dV Y _ _ I_ dYn+1 = 1 n+l � dz dYn+1 = 0 dz UPPER AND LOWER SOLUTIONS at x = a for 0 � z � I , at z = 0, at z = I , (� - '.Y?A)�Yn+1 = (� - ,.Y?A)Yn+2 = -,.Y?AYn+! in O < z < I , x = I , 1 dYn+2 ( ) Yn+2 + .Y?Aav = YII+! z dYn+2 = 0 d V y _ _ I_ dYII+2 = 1 11+2 �e dz dYn+2 = 0 dz at x = 1 for 0 � z � I , at x = a for 0 � z � I , at z = 0, at z = 1 . Therefore, [ 1 dYII+2 ] l I dYII+1 YII+2 + .Y?A av - )'11+1 + .Y?A JVJ = YII+1 (Z) - YII (z) � (} d)'I1+2 _ dYII+ 1 = () > () d V d V - , [y 2 __ I_ dYII+2 ] _ [y 1 -_ I_dYII+ I ] = I - I = O � O 11+ � dz 11+ � dz dYII+2 _ dYn+1 = O � O dz dz and we lherefore have the problem in a < x < I , () < z < I , in (} < z < l , x = I , on x = a, x = I , on z = 0, z = I , where, in a () in a < x < 1 and W > () in () < z < I (un less w, W == () in which case 9Yn+1 = 9Y1I and �YII+ I = fJ2YII and the right hand sides of (6.3 .28) and (6.3 .29) are identically zero; but 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 179 UPPER AND LOWER SOLUTIONS this happens only if Yn == Yn+ l and Yn == Yn+ 1 , since F is strictly monotonic, so !!JjYn < !!JjYn+ l and oo/iYn < .o/2Yn+l). It can similarly be shown that Yn � Yn+l and Yn � Yn+l implies !!JjYn > !!JjYn+l and .o/2Yn > .o/2Yn+ l . Method 2 We define the (nonlinear) transformations !!Ii and.0/2 as follows: and if (� - 'Y'h)Yn+1 = -,Y'hYn+! Y +_l_OYn+! = y (z) n+l Y'h ov n OYn+l = 0 ov y __ 1_dYn+l _ 1 n+l �" dz - dYn+ 1 = 0 dz in a < x < I , 0 < z < I , i n 0 < z < 1 , x = 1 , at x = 1 for ° � z :5 1 , at x = a for 0 :5 z � 1 , at z = 0, at z = 1 . In this method the equations for Yn+! and Yn+! are coupled and we show that !!Jj and .0/2 are also monotone in the sense that Yn � Yn+ l and Yn � Yn+ l implies !!JjYn < !!JjYn+l and .o/2Yn < oo/iYn+ 1 • We have, if Yn � Yn+ ! and Yn :5 Yn+ l and 1 oYn+ l ) Yn+ l + !l'h -;;v = Yn (z OYn+l = 0 ov y __ l_ dYn+! _ 1 n+l � dz - dYn+! = 0 dz in a < x < l , O < z < l , in 0 < z < 1 , x = 1 , in 0 < z < 1 , x = 1 , at x = 1 for 0 � z :5 I , at x = a for 0 :5 z :5 I , at z = 0, at z = 1 , (0;. - ,!l'h)5;Yn+ 1 = (0;. - ,!l'h)Yn+2 = -,!l'hYn+2 in 0 < z < I , x = I , 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 180 UPPER AND LOWER SOLUTIONS aYn+2 = 0 aV at x = a for 0 � z � 1 , y _ _ I_ dYn+2 = 1 n+2 gD" dz dYn+2 = 0 dz at z = 0, at z = 1 . Therefore, (� - '.Y?A)(.0/2Yn+1 -.o/2Yn) = -,.Y?A(Yn+2 - Yn+l ) [ _1 aYn+2 ] _ [ _1 aYn+I ] _ y ( ) _ Y ( » 0 Yn+2 + .Y?t. av Yn+1 + .Y?t. av - n+1 Z n Z - aYn+2 _ aYn+1 = O � O , av av [y 2 _ _ I_ dYn+2 ] _ [y 1 __ l_dYn+I ] = l _ l = O � O n+ gD" dz n+ gD" dz dYn+2 _ dYn+1 = 0 � 0 dz dz and we therefore have the problem in a 0 in a < x < 1 . This implies that the right hand side of (6.3 .35) is negative so that L2W $ 0 B2W � 0 where, in 0 0 i n 0 < z < 1 . Therefore, Yn $ Yn+ l and Yn � Yn+1 implies .o/jYn < .o/iYn+! and §'iYn < §'iYn+! . It can sim ilarly be shown that, Yn � Yn+ ! and Yn � Yn+! implies .o/iYn > .o/iYn+ ! and §'iYn > .o/i.Yn+l . Method 3 We define the (nonlinear) transformations .o/i and §'i as follows: and if 6.3 MONOTONE ITER A TION TECHNIQUES IN THE CONSTRUCTION OF 181 (� - '91�.)Yn+ 1 = -,91I.Yn 1 JYn+1 y ( ) Yn+ 1 + 911. av = n+1 Z JYn+1 = 0 ()v y __ I_dYn+1 = 1 n+1 � dz dYn+1 = 0 dz UPPER AND LOWER SOLUTIONS in a<.x 0 in 0 < z < 1 . This impl ies that the right hand side of (6.3 .42) is negative so that in a < x < 1 , 0 < z < 1 , Oil X = a, x = 1 , where, w = .o/Yn+l -.o/Yn · By the strong maximum pri llciplc, w > 0 in a < x < 1 . Therefore, Yn � YM I implies f12Y n < f12Y n+ l which in turn implies that �Yn < �Yn+ I ' It can similarly be shown that, Yn � Yn+l implies f12Yn > .:12Yn+! which in turn implies that �Yn > �Yn+l . If in addition to the assumptions onf, we assume thatf is monotone increasing, the following two iteration procedures yield alternating sequences which form two monotone sequences bounding the solution from above and below. Therefore, by assumption, for Yn � Yn+ 1 (6.3.46) Method 4 We define the (nonlinear) transformations � and f12 as follows: and if in a < x < 1 , 0 < z < 1 , in 0 < z < 1 , x = 1 , 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 1 83 1 dYn+l Y ( ) Yn+l + fJJl. JV = n Z dYn+l =0 dV Y __ I_ dYn+ l _ 1 n+l � dz - dYn+1 = 0 dz UPPER AND LOWER SOLUTIONS at x = 1 for 0 :::; z :::; 1 , at x = a for 0 :::; z :::; 1 , at z = 0, at z = 1 . In this method the equations for Yn+1 and Yn+1 are uncoupled and we show that .o/i and fili are monotone in the sense that Yn :::; Yn+ 1 and Yn � Yn+ l impl ies .o/iYn < .o/iYn+1 and filiYn > filiYn+ l . We have, i f Yn :::; Yn+ 1 and Yn :::; Yn+ 1 and 1 dYn+1 y ( ) Yn+ l + fJJl. JV = n z dYn+1 = 0 dV Y __ I_ dYn+l _ l n+l � dz - dYn+1 = 0 dz (� - ,fJJl.),o/jYn+ l = (� - ,Y'I.)Yn+2 = -,fJJI.Yn+l 1 dYn+2 Y ( ) Yn+2 + fJJl. ---av = n+1 Z dYn+2 = 0 dV Y __ 1_dYn+2 - 1 n+2 &'e dz dYn+2 = 0 dz Therefore, (� - ,fJJl.)(.o/;Yn+1 -S'2Yn) = -,YI.(Yn+1 - Yn) $ 0 in a < x < I , O < z < l , in O < z < l , x = 1 , at x = 1 for 0 :::; z :::; 1 , at x = a for 0 $ z $ I , at z = 0, at z = 1 . in a < x < 1 , 0 < z < 1 , in 0 < z < 1 , x = 1 , at x = 1 for 0 $ Z $ 1 , at x = a for 0 :::; z $ 1 , at z = 0, at z = 1 . in a < x < 1 , 0 < z < 1 , in O < z < l , x = l , [ 1 JYn+2 1 I 1 aYn+l ] Yn+2 + fJJl. � - Yn+1 +. 0 dV dV - , at x = a for 0 $ z $ 1 , (6.3.47) (6.3.48) (6.3.49) (6.3.50) 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 184 UPPER AND LOWER SOLUTIONS [y 2 __ 1_dY,,+2 1 _ [Y J __ l_dY"+l l = l - l = O � O n+ ,CVl, dz n+ �e dz dYn+2 _ dYn+1 = 0 � 0 dz dz at z = 0, at z = 1 . (6.3.51) (6.3.52) Therefore, we have the problem in a < x < 1 , 0 < z < 1 , i n 0 < z < 1 , x = 1 , on x = a, x = 1 , on z = 0 , z = 1 , where, w = .o/Y,,+1 -.o/Yn and W = 5Y,,+ 1 -5Y" and B l and B2 arc boundary operators. By Lhe strong maximum principle, w < ° in a < x < 1 and W > 0 in 0 < z < 1 (unless w, W = 0 in which case 9jYn+l = 9jYn and S"2Yn+ ! = .o/iYn and the right hand sides of (6.3 .47) and (6.3 .48) are identically zero; but this happens only if y" = Y,,+ i and Yn = Yn+ i , since f is strictly monotonic, so .o/jYn > .o/jYn+J and .o/ZYn < .o/ZYn+l). Similarly, Yn � y,,+ ! and Y" � Yn+ 1 impl ies fi)Yn > .o/jYn+1 and .o/ZYn < .o/ZYn+ l . This also implies that fli2 and S"l are monotone in the sense that y" � Yn+ 1 and Yn � Y,,+i impl ies fli2y " < fli2Y,,+ 1 and .o/i2yn > S",fyn+ l . Method 5 We define the (nonlinear) transformations .'1j and fli as fol lows: and if (Lz - (Y'/")Y,,+I = -(.%Y,,+ 1 1 JYn+! Yn+ 1 + Y'/" av = Yn(z) JYn+1 = 0 Jv Yn+! __ l_dYn+1 = 1 ,CVl, dz dY,,+1 = ° dz in a < x < 1 , ° < z < 1 , in 0 < z < I , x = J , at x = 1 for ° � z 0::::; 1 , at x = a for 0 � z :;:; 1 , at z = 0, at z = 1 . In Lhis meLhod the equalions for Y,,+ I and y,,+ I are coupled and we show (hat fi) and fJ2 are monotone i n the sense that Yn 0::::; y,,+ I and Y" � Y,,+ I implies fi)y" < fi)Yn+ 1 and .o/ZY n < .o/ZY n+ I · 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 185 UPPER AND LOWER SOLUTIONS We have, if Yn ::; Yn+ l and Yn � Yn+ l and LtfJjYn ::: LtYn+l ::: 1jJ2/(x, Yn) (I...-;. - 'Y'h).o/ZYn ::: (I...-;. - 'Y'h)Yn+1 ::: -,Y'hYn+ l 1 JYn+l Y ( ) Yn+l + Y'h � = n Z JYn+l = 0 Jv Y __ I_dYn+l = 1 n+l ,lj'e dz dYn+1 = 0 dz 1 dYn+2 Yn+2 + Y'h �= Yn+l (z) dYn+2 = 0 Jv Y __ 1_dYn+2 _ 1 n+2 � dz - dYn+2 = 0 dz in a < x < I , O < z < l , in O < z < l , x ::: l , at x ::: 1 for 0 ::; z ::; 1 , at x ::: a for 0 ::; z ::; 1 , at z ::: 0, aL z ::: 1 . in a .o/jYn+ 1 and .o/iYn > .o/iYn+ ! . If the nonlinearitiesflx, y) have continuous y-derivatives, then we may attempt a fUrlher i teration scheme to solve the equations (6.3 . 1)-(6.3.8) . This is known as Newton's method. Under appropriate conditions we wil l show that the Newton iterates converge monotonically . This convergence is frequently quadratic (KELLER [ 14 1 ]) and hence we expect that the iterates give more accurate approximations to earlier methods discussed in this section. However, as we shall sec, the Newton iterates converge either from above (ifjy is i ncreasing in y) or from below (if jy is decreasing in y) . We therefore cannot obtain both monotone i ncreasing and monotone decreasing sequences and therefore upper and lower approximations for the problem (6.3. 1 )-(6.3 .8) as was done in earlier examples. Assume thatjsatisfies all previous assumptions and in addition, aj >0 ay - d aj . . . an ay IS monotone mcreasmg. Defme Then it follows that Further, if Yn ::; Yn+l , then by the above assumpLions, Method 6 (Newton's Method) We define the (nonlinear) transformations .o/j and .o/i as follows: (6.3.59) (6.3.60) (6.3.61) (6.3.62) and if 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 187 UPPER AND LOWER SOLUTIONS af 2 af (Lt - ay (X,Yn))Yn+1 = ¢J f(x,Yn) - ay (X,Yn)Yn (� - '9'h)Yn+1 = -'9'hYn 1 aYn+l ( ) Yn+l + 9'h av= Yn z JYn+l = 0 Jv y __ l_dYn+ l = 1 n+1 � dz dYn+1 = 0 dz in a < x < l , O < z < l , in O < z < l , x = l , al x = 1 for 0 � z � 1 , at x = a [or 0 � z � 1 , at z = 0, at Z = 1 . In this method, the equations for Y n+ I and Yn+ I are uncoupled and we show that both !1j and fJi are monotone in the sense that Yn � Yn+l and Yn � Yn+ l implies !1jYn < !1jYn+ l and fJiYn < fJiYn+ l . We have, if Yn � Yn+ 1 and Yn � Yn+l and af fiT af 2 af . (L1 - ay (X,Yn)).7IYn = (� - ay (X,Yn))Yn+1 = ¢J f(x,Yn)- Jy (X,Yn)Yn In a < x < 1 , 0 < z < 1 , (� - '9'h)fliYn = (� - ,fPh)Yn+1 = -'9'hYn in 0 < z < 1 , x = 1 , 1 aYn+1 Yn+1 + 9'h av = Yn (z) JYn+1 = 0 Jv y _ _ I_ dYn+ 1 = 1 n+1 � dz dYn+1 = 0 dz 1 JYn+2 Yn+2 + fPh�= Y"+I (Z) aYn+2 = 0 d V y _ _ 1_dYn+2 = 1 n+2 � dz dYn+2 = 0 dz at x = 1 for 0 � z � 1 , at x = a for 0 � z � I , at z = 0, al z = l . in O < z < l , x = l , at x = 1 [or 0 � Z � I , at x = a for 0 � Z � 1 , at z = 0, al z = 1 . . ... Therefore, 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 188 UPPER AND LOWER SOLUTIONS Jf !y, 2 2 Jf » (L1 - J/X,Yn+l»(.o/iYn+l - lYn) =

0 in a < x < 1 and W > 0 in 0 < Z < 1 . (unless w, W == 0 in which case .o/jYn+l = .o/jYn and B'2.Yn+! = ff2Yn and the right hand sides of (6.3 .63) and (6.3 .64) are identically zero; but this happens only if Yn == Yn+l and Yn == Yn+ l , since F is strictly monoton ic, so .o/jYn < .o/jYn+l and $iYn < $iYn+ ! ). It can similarly be shown that Yn � Yn+ l and Yn � Yn+l implies .o/jYn > .o/jYn+ l and $iYn > 92Yn+ l . However, to show this we need to assume thatfsatisfies all previous assumptions, but df is now monotone decreasing instead of increasing as in (6.3 .59). Define, as before dy Then it foIlows that Further, i f Yn � Yn+l , then by the above assumptions, The proof foIlows exactly, with some reversals of inequalities. (6.3.69) (6.3.70) (6.3.71) - -- ------------ 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 1 89 UPPER AND LOWER SOLUTIONS The monotone iterative methods discussed in this section have appl ications il l constructive existence proofs. Iteration schemes are used and yield monotone convergence to the maximal solution from above, to the m inimal solution from below or both for some unique solutions. Newton's method may be shown to converge from above or below to a unique solution (the uniqueness is guaranteed from the monotone property of f and applying the maximum principle). Newton's method can be shown to converge quadratically (KELLER [ 1 4 1 ]) . However some additional continuity properties are needed. In our case h is required to be Lipschitz continuous in x. To see how these montone iterations are useful in a constructive existence proof let us consider Method 1 and define where We show that the following strict inequalities hold [ 1 > [0' r; < Yo, �l > �o and Yl < Yo · We have So (� -M)[, = '.9'h([O -�o ) -M[o 1 a�l J\ + fJJh av = 1:o(z) ay, -=-= 0 av (6.3.72) (6.3.73) (6.3.74) in a < x < l , O < z < l , in 0 < z < 1 , x = 1 , at x = 1 for 0 � z � 1 , at x = a for 0 � z � 1 , at z = 0, at z = 1 . (� - M)(1:1 -1:0 ) = '.9'h(1:o -�o) -M1:o -� 1:0 + M1:o = '.9'h(r - �)- � r � 0 i n 0 �o and I:I > I:o. (Assume that LI �o :t rpz f(x,�o) and LzI:o :t '9'�(I:o -�o » ' A similar argument holds jf we have to show LIlat .YI < .Yo and Pi < Yo. Now define �z = $i�I , I:Z = .o/'z [z · Then [I > I:o and �I > �o i mplies that �z = $ill > $i�o = �I and I:z =.o/'ZI:l >91I:o = I:l ' By induction, LIle sequences defined by �I = .o/i�o' �n =.o/i�n-l and I:I = .o/'zI:o , I:n = .o/'ZI:n-l are monotone increasing. Similarly, the sequences defined by .YI = .o/i.Yo , Yn = .o/iYn-1 and Pi = ,q;Vo, � = ,q;�_1 defines monotone increasing sequences. FurLllermore, we have �n < Yn and rn < � for all n: �o < �I < �z <" '�n-l < �n <· · ·< .Yn < .Yn-I < . . . < YI < Yo ro < I:I < I:z < .. ·I:n-I < L < . . . < � < �-I < . . . < r; < Yo In fact, �o < Yo and I:o < ft> ; suppose that �n-l < Yn-I and rn-I < �-I ' Then �n = .o/iln-I < .o/iYn-1 = Yn and I:n = .o/'2I:n- 1 < 91�_1 = �, so the proof follows [rom induction. Since LIle sequences (lk l , (I:k l , (Yk l and (�l are monotone and unifonnly bounded, the pointwise limits y(x,z) = lim yk (x,z) , Y(x, z) = lim Yk (x, z) - k�oo - k�oo rez) = lim rk (z) , y(z) = lim � (z) k�oo k�� all exist. (6.3.75) (6.3.76) To show that the sequences defined above converge uniformly and LIlat the l imits above are is in CZ+a, we may usc standard continuity arguments described in Chapter 4. A similar proof holds for all other iterative methods described in tJl is section. 6.3.3 Conclusions and Remarks The novelty of such problems discussed in th is thesis is that the coupling of differential equations in the boundary condi tions of the particle model and the mass transfer resistances in a particle is incorporated into the l iquid phase balance equations. These equations pose no problems in applying several monotone iteration methods given in l iterature for scalar ell iptic equations. Such monotone iterative techniques may also useful in numerical computation. We have seen in section 6 . 1 and section 6.2 that upper and lower solutions arc useful in the investigation of qualitive properties of solutions and do prove to be good as approximate solutions. These upper and lower solutions can be computationally improved by such monotone iteration techn iques. These techniques may also be generalised to LIle general system Sn, Bn and its corresponding steady state system Sn ' Bn . We have discussed in section 3.7 how the method of upper and lower solutions for the systems Sm Bn and its corresponding steady slate system Sn ' Bn may be extended to a nonlinear finite difference system which is a discrete version of tJle continuous problems Sn, Bn and Sn ' Bn . It was noted that solving coupled systems involves solving fewer elluations. We would thus expect convergellce for the iterative methods given in LIlis section involving solving coupled systems to give a faster rate of convergence. This section also gives us an idea of conditions that our nonlinear reaction functions have to satisfy in order to obtain mOllotone sequences, alternating sequcnces and accelerated monotonc sequences and how these results may be general ised to the systems Sn, Bn and Sn ' Bn . We have already studied in section 3 .6 ------- 6.3 MONOTONE ITERATION TECHNIQUES IN THE CONSTRUCTION OF 191 UPPER AND LOWER SOLUTIONS some o[ the properties that our nonlinear functions in the system Sn. Bn have to satisfy in order to get monotone and alternating sequences (see Lemma 3.6.6 and Remark 3 .6.6). We have also seen in section 4.3 that such properties also hold for the system Sn. En (see Lemma 4.3.6 and Remark 4.3.6). It would be useful to generalise and to study some monotone sequences which give accelerated convergences to the systems Sn. Bn and Sn , Bn using the methods given in this section. Such a method may be a generalisation of Newton's method to systems of equations and may prove to be computationally useful. 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN 192 ARTIFICIAL KIDNEY 6.4 Uniqueness and Existence Theorems for a Model of an Artilicial Kidney In this section, we shall look at a specific example found in literature (LIN [ 1 70]) of a modified urea transfer model for predicting urea removal in a compact artificial kidney. S ince the transient behaviour of such models are determined by the steady-state behaviour of resul ting equations, this section shall only examine the uniqueness and existence of solutions to the steady-state problem. This problem involves three elliptic equations which arc all coupled together in their boundary conditions. The approach taken in proving these theorems differs from the approach discussed in the early part of this thesis and the problem differs slightly as well. The method used in this section may be generalised to proving existence and uniqueness to the general system Sn, Bn and its corresponding steady state system Sn ' Bn . 6.4.1 The Artificial Kidney An artificial kidney is a compact device that is that is worn by a patient and uses a replacement unit for removal of niLrogeneous waste products from the blood. Within this device are micro-encapsulated enzyme particles which consists of a layer of membrane and an inner urease solution. This particle membrane pcnnits the urea to diffuse through and into the urease solution but retains thc urease because of thc larger urease molecules. Ammonia is generated by the enzymatic conversion of urea and in turn reacts with the ion exchange resins which are suspended in the urease solution. In addi tion, the urease solution may also contain a small amount of activated carbon for removal of uric acid and creatinine. We shall develop a generalised model for the artificial kidney. The model applies as well to removal of other toxic uremic molecules, which is also of main concern of the artificial kidney . Many early models (CHANG and POZNANSKY [68] , VIETH el al. [292]) are mainly concerned with reaction and diffusion only within the m icro-encapsulated enzyme particles and are not concerned with what happens outside of these particles. However a few models such as that of LEVINE and LACOURSE [ 1 68] examine the performance of the whole artificial k idney. These people also show that an artificial kidney of l Ocm long is sufficient to remove 90% of the urea from the bloodstream. In this work, predictive models for the artificial kidney are developed. This model is similar to that proposed for a Ouidised bed biofilm reactor (SHI El l el al. [263] , PARSI IOTAM el al. [226]). However, for the present model, the boundary condition for the particles has a correction factor to account for external diffusion within the layer of membrane. This diffusion wi thin the membrane could be quite significant (MCELWAIN [ 1 80]). Despite this feature we are sti l l able to obtain uniquness and existence theorems. However, in this section, we shall develop melhods for proving un iqueness and exislence theorems that differs from earlier melhods and appears to be more suitable to this range of problems. The model is developed by assuming M ichaelis-Menten kinetics but for the sake of uniqueness and ex istence there is no additional difficulty in assuming the general case where micro-encapsulated enzyme particle kinetics are monotone increasing and nonnegative. 6.4.2 The Artificial Kidney Model Formulation The artificial kidney, the typical schematic is shown in FIG. 6.9, consists of a compact device in which micro-encapsulated enzyme particles (see FIG . 6. 1 0) are in a Iluidised state. The key processes of this system with uniform membrane thickness is: (i) Urea transport through the anilkial kidney. (ii) diffusion within \lIe microencapsulated urease particle lIlembrane (iii) reaction-dirrusion wi\llin a single microencapsulated urease particle 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN 1 93 ARTIFICIAL KIDNEY Microencapsulated urease particle-Artificial K idney Model Development The mathematical model of the artificial kidney urea conversion process is divided into three submodels. The "Microencapsulated urease particle Model" is concerned with diffusion within the urease solution and urea conversion by the microencapsulated urease particles. The "Microencapsulated urease particle membrane Model" is concerned with diffusion within the urease particle membrane. The "Artificial Kidney Plug Flow Model" is concerned with the hydraulic plug flow transport of urea through the artificial kidney and is external to a microencapsulated urease particle. The three models are coupled by urease particle-bulk liquid boundary conditions to yield an overall model for urea conversion in an the artificial kidney. i F IG . 6.9 Artificial Kidney F IG. 6. 1 0 Microencapsulated particle with urease solution The one dimensional dispersion equation for describing the urea concentration in the blood stream passing through the artificial kidney can be represented by d2Sb dSb I D-.,.--u--nAkL(S/" -sm ) = 0, dZ" dZ / r=rmp (6.4. 1 ) where Sb i s the urea concentration in the blood stream passing through the artificial kidney, Sm i s the urea concentration in the membrane, D is the dispersion coefficient, u is the velocity of blood flow, n is the number of microencapsulated particles per unit volume of fluid, A is the microencapsulated particle surface area, h is the mass transfer coefficient and Z the axial coordinate. The Reynolds number for the present system is given by rile = dpup J1 ' (6.4.2) where dp is the diameter, p is the density and J1 is the viscoscity of the microencapsulated particle and the Peclct number for this system is given by � = ul D ' (6.4.3) 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN 1 94 ARTIFICIAL KIDNEY with I being the length of the artificial kidney. It is common to neglect the second order differential term in (6.4. 1 ) in the present system since the Peclet number for this system is often quite high (LEVEN SPIEL [ 166, p .275] , LIN [ 1 70] , SHIEH et al. [263]). However, we shall include this term in our model equations as there is no additional difficulty for the purposes of uniqueness and existence theorems. The urea distribution profiles in both membrane and solution phases are expected to be different because of different urea diffusion coefficients in these phases. Therefore, the urea balance in both phases can be expressed as D ( a 2Sm +�aSm )= 0 m ar2 r ar ' (6.4.4) D ( a 2s +� as ) _ Vms S ar2 r ar - s+ km ' (6.4. 5) where Sm is the urea concentration in the membrane and s is the urea concentration in the urease solution, Dm and D s are the corresponding urea diffusion coefficients, V m is the maximum reaction rate, km i s the Michaelis constant and r is the radial coordinates. The boundary conditions are given by dSb =0 dZ DdSb = u(Sb -Sb ) dZ ,I D aSm D as II mTr= of ar ' Sm = S at Z = I, at Z = 0, at r = rus, at r = rmp, where H is the partition coefficient between the membrane and the urease solution. In d imensionless form, the equations (6.4. 1 ) and (6.4.4)-(6.4.9) take the following form _1 �(x2 aYm ) = 0 x2 ax ax _1 �(x2 ay) = ¢2_Y_ x2 ax ax 1 +(3y 1 d2y dY -----= �.Y?h(Y -Ym) fl'e dz2 dz aYm ay ax = r ax ' Ym = lIy 1 ay Y + -� = Y(z) m .Y?h av ay = 0 av i n a < x < 1 , 0 < z < I , in 0 < x < a, 0 < z < I , in 0 < z < I , x = I , in 0 < z < I , x = a, at x = 1 for 0 < z < I , at x = 0 for 0 < z < 1 , (6.4.6) (6.4.7) (6.4.8) (6.4.9) (6.4.10) (6.4.1 1) (6.4.12) (6.4.13) (6.4.14) (6.4.15) 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN 195 Y __ 1 dY = 1 � dz dY = 0 dz ARTIFICIAL KIDNEY at z = 0, at z = 1 � at steady-state the equations, where the dimensionless variables are and the parameters are Equation (6.4. 10) is l inear and can be integrated to give which is further integrated to give Ym =_£L+C2 , x (6.4.16) (6.4.17) (6.4.18) (6.4.19) (6.4.20) (6.4.21) where Cl and C2 are constants of integration. Substitution of equations (6.4 . 10) and (6.4.21 ) into equation (6.4 . 14) g ives (6.4.22) The integration constant C2 can be eliminated by inserting equations (6.4. 10) and (6.4.22) into equation (6.4. 13) so that where, ay ax = [JJl.m(Y -Hy) fA - [JJI. � - ya([JJI.+ a( I -.%)) at x = a, From equations (6.4. 13) and (6.4.20), we can show that (6.4.23) (6.4.24) (6.4.25) Therefore equation (6.4.25) can be substituted into (6.4. 14) which is substituted into equation (6.4. 13) so that the original set of equations is reduced to the following set of equations in 0 < x < a, () < z < 1 , (6.4.26) 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN 196 ARTIFICIAL KIDNEY 1 d2y dY 2 aY I -- 2 -- = a y- � dz dz ax x=a in 0 < z < 1, x = a, (6.4.27) ay = .9'hm(Y - /-ly) ax at x = a for 0 � z � 1 , (6.4.28) ay = 0 av at x = 0 for 0 � z � 1 , (6.4.29) Y __ 1 dY = I at z = 0, (6.4.30) � dz dY = 0 at z = 1 . (6.4.31) dz We see that the boundary condition (6.4.28) has a correction factor to account for the external diffusion within the microencapsu lated urease particle membrane. We note that this problem reduces to the case discussed in sections 6.2 and 6.3 in the limit as Il tcnds to unity and [Phm tcnds to [Ph. For purposes of un iqueness and existence, we shal l substi tute equation (6.4.26) for the more general equation in 0 < x < a, 0 < z < I , (6.4.32) where the Michaelis-Menten term in (6.4.26) is replaced by an arbitrary function f(y) which is monotone increasing, nonnegative and Lipschitz continuous with respect to y. 6.4.3 Uniqueness and Existence the()rems We have reduced three coupled ell iptic equations to two coupled ell iptic equations by solving (6.4. 10) and have obtained a system similar to that in section 6.2 and section 6.3. The system (6.4.26)-(6.4.32) is nonstandard in the way that (6.4.32) is coupled to (6.4.27) via the boundary condition (6.4.28). Although i t may be observed from well known results (e.g. HILTMAN AND LORY [ 1 26]) that for a given a unique Y(z) there exisL<; a unique y(x, z) , il cannol be assumed because of the coupled nature of lhe equations for y(x, z) and Y(z) that Y(z) is in fact unique for a given z. We therefore consider the one­ parameter family of solutions, Yjl(x) where Yjl(x) is a solution to the microencapsulated urease problem and where J1 has captured the z. We shall establish a one-to-one correspondence between Yjl(x) and y(x, z) . In summary, we have the fol lowing Vz E [0, 1 ] , :3 ! J1(z) : y(x, z) = Yjl(x), Consider the following o.d.e. that is paramelriseel by height z 1 d ely 2-(x2�)= lP2 f(yJ.l ) in ° < x < a, x dx dx with the boundary conditions at x = 0, (6.4.33) (6.4.34) (6.4.35) 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN 197 1 dy --�+Hy =J1 al x = 1 , f/J;., dx j.l m ARTIFICIAL KIDNEY (6.4.36) and where yj.l(x) may be thought of as the family of solutions y(x) wilh given const.anl J1 andf is monolone increasing, nonnegalive and Lipschitz with respecl lo yj.l with Lipschitz const.ant K. We have the following comparison results for yj.l' Lemma 6.4.1 (Comparison Results) Let Yj.l(x) denote the solution of (6.4.34)-(6.4.36) and suppose that two functions �j.l and Yj.l can be found so that the differential inequalities d--A-�(x2 yp. ) � lP2 f(Yp. ) in 0 < x < a, (6.4.37) x dx dx hold with the boundary conditions and the differential inequalities 1 d dy 2-(x 2 -po ) ? lP2 fey ) in 0 < x < a, x dx dx -po hold with the boundary conditiolls Then Proof dy -j.l � O dx at x = 0, I dy --�+J-1y �J1 at x = a. f/J;"m dx -po From (6.4.34) and (6.4.37), we have 1 d 2 d 2 2 x2 dx (x dx (�j.l -yp.»? lP f(�)-lP f(Yj.l ) ?m(�j.l -yj.l ) [or m ? 0, since f is monolone increasing. Hence, 1 d 2 d --(x -(y -y »-m(y -y ) ? O x2 dx dx -j.l p. -j.l p. From (6.4.35)-(6.4.36) and (6.4.38)-(6.4.39), we have (6.4.38) (6.4.39) (6.4.40) (6.4.41) (6.4.42) (6.4.43) (6.4.44) (6.4.45) 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN 198 implying by the maximum principle Illat y -y" � O or y � y" . -JI. r -JI. r ARTIFICIAL KIDNEY (6.4.46) (6.4.47) (6.4.48) I n the same way from (6.4.34)-(6.4.36) and (6.4.40)-(6.4.4a.), we find that yJl. � Yw Combining these results, we therefore have shown that the upper and lower bounds (6.4.49) are valid.O The equation (6.4.49) is a special case of theorems established for ell iptic equations by AMANN [5] . The functions y and y" where y � y" are lower and upper functions of (6.4.34)-(6.4.36) respectively and so -JI. r -JI. r there exists a solution yJl. of (6.4.34)-(6.4.36) where y � yJl. � y" . -JI. r Lemma 6.4. 1 implies a solution of (6.4.34) which satisfies boundary conditions (6.4.35)-(6.4.36) must be unique for if u and v are solutions, we can let Y..JI. = u and yJl. = v , to rind that u == v. Thus given J1 is unique for a given z, then yJl. is unique. However, we cannot assume that J1 is unique for a given z and for that we shall need the fol lowing lemma: Lemma 6.4.2 YJl.(x) is monotonically increasing in J.1 and is Lipschitz in II. Proof Consider the equations YJl.l and y� with J11 � J12 and where YJl.l satisfies the equations 1 d dy 2-(x 2 ---.&..)- ip2 f(y" ) = 0 in 0 < x < a, x dx dx rl with the boundary conditions dYJl. l =0 dx 1 dy -----.&..+Hy =}1 fIJI. dx Jl.l 1 m and y� satisfies Ille equation at x = 0, at x = 1 , 1 d dy 2-(x 2 -.!!:l..) - ip 2f(YII ) = 0 in O < x < a, x dx dx r2 with Ihe boundary conditions (6.4.50) (6.4.51) (6.4.52) (6.4.53) 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN ARTIFICIAL KIDNEY dyJlz = 0 dx _ 1 _ dYJl2 +1-1 -f)J/" dx YJl2 P2 m at x = 0 , at x = 1 . These equations satisfy the differential inequalities 1 d dy ""3-(x2--..!:l.)- ¢J2f(YII )= 0$ 0 in O < x < a, x dx dx ,-1 with the inequalities in the boundary conditions dYJll = O � O dx 1 dYJl r;;-__ 1 + I-IYII = PI � P2 .Y'J"", dx ,-1 at x = 0 , at x = 1 , and YJlz satisfies the differential inequalities with the inequalities in the boundary conditions at x = 0, at x = 1 . and from Lemma 6.4. l , this implies that Hence YJl is monotonically increasing in p. To show that YJl(x) is Lipschitz in Il, we need to only consider the case whcn ILl � P2. 199 (6.4.54) (6.4.55) (6.4.56) (6.4.57) (6.4.58) (6.4.59) (6.4.60) (6.4.61) (6.4.62) Let us consider the equations (6.4.50)-(6.4.55) and look at the difference. We then obtain the inequalities with the inequalities in the boundary conditions d d./YJl1 - YJl2 ) = ° at x = 0, 1 d f)J/" dx (YJl1 - YJl2 ) + H(YJll - YJl2 ) = PI -P2 � 0 at x = 1 , m (6.4.63) (6.4.64) (6.4.65) 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN 200 ARTIFICIAL KIDNEY .- ._-_._._ ._--_ ..... _------_. --.---- -----_. From the maximum principle we see that the max imum value for Ill is problcm is at thc boundary x = I and Jil - Ji2 ;::: 0 implies Y/-l1 - Y/-l2 ;::: 0 so that (6.4.66) Hence Y/-l(x) is Lipschitz in pwith Lipschitz constanl k = I .U Let us define the following function (6.4.67) which is obtained from integrating (6.4.32) and applying the boundary conditions (6.4.29). Lemma 6.4.3 F(J1) is monotonically increasing in p and Lipschitz in p. Proof To show that F(p) is monotonically incrcasing in p, wc notc that Y/-l is monotonically increasing in Ji, f(Y/-l(x» is monotonically increasing in Y/-l and Illcrcfore FClt) is monotonically increas ing in Jt. To show that F(J1) is Lipschitz in Ji, we note from Lemma 6.4.2 that Y/-l(x) is Lipschitz in Ji . Therefore rlX I I F(p)- F(J1+ )1 I = cp2 11 J o x 2 f(Y/-l )-x2 f(Y/-l. )dxll = cp2 11J: x2 (f(Y/-l )-f(Y/-l. » dxll � cp2 J;"x2(f(Y/-l )-f(Y/-l. » lIdx � cp2 IoIX 1I(f(Y/-l )- fey /-l. » l l dx � cp2 K JolX l Iu -p + l ldx � cp2aKIlJi -Ji+ 1 I and F(J1) i s Lipschitz in p with LipschilZ constant k = fK {l-a).O Consider the following differential equation in 0 < z < I , x = a, (6.4.68) 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN 201 with boundary condiLions 1 dJ1 J1---= 1 � dz dJ1 = 0 dz F{J1) is given by (6.4.67). Lemma 6.4.4 ARTIFICIAL KIDNEY at z = 0, at z = 1. The solution of (6.4 .68)-(6.4.70) exists and is unique. Proof (6.4.69) (6.4.70) The existence and uniqueness of solutions fol lows from applying Theorem 2.6 of AMANN [8] given that F(J1) is monotonically increasing in J1 and is Lipsch itz in J1 from Lemma 6.4.3. This theorem will also require that upper and lower solutions to (6.4.68)-(6.4.70) ex ist and these can be constructed from y and -J1. YJ1. in (6.4.37)-(6.4.42) and using the monotonicity of F{J1) in (6.4.67).0 The equations (6.4.68)-(6.4.70) are obtained from (6.4.27), (6.4.30)-(6.4.3 1 ) and we may no longer treat J1 as a parameter. We are now justi fied in stating that Y(z) is unique for a given z E [0, I ] and that there exists a unique solution y(x, z) given that 't.1l and YJ1. arc lower and upper solutions respectively and therefore Yix) in (6.4.34)-(6.4.36) exists and is unique. We have shown that there exists a solution of (6.4.27)-(6.4.32) if there exists a solution of (6.4.34)-(6.4.36) and that there is a one-to-one correspondence between the one­ parameter fami ly of solu tions, Yjl(x) and y(x, z) . Furthermore standard results (HILTMAN and LORY [ 1 26]) I l IaY hc used in t.h is case to show u l l iqucl less alld cx istcl lcc 10 t he SYSICI l I «().4.2(» -«().4.l l ) . Conclusions and Remarks The problem discussed in this section differs somewhat from the problems discussed in section 6.2 and in section 6.3. In this problem there is diffusion within the urease particle membrane. Literature suggests that this diffusion within the particle membrane could be quite significant. This problem involves three elliptic equations which are coupled in their boundary conditions and these equations are reduced to two equations which are coupled in their boundary conditions by solving a diffusion cquation w i thin the m icroencapsulated urease particle membrane. The method of proving uniquness and ex istence IJleorell1� di ffers from earlier chapters. In this section we prove uniqueness and existence theorems by establishing a one to one correspondence between VI rca transport through the arLificial k idney and reaction-diffusion wi thin a single microencapsu lated urease particle. This method of proving un iqueness and existence also makes good use of the derivative tenn in the right hand side of (6.4.27). This term may not be expressed in a l inear form by making use of boundary conditions as was done in section 6.2 and in section 6.3 and therefore our definitions or upper and lower solutions in section 6.2 and section 6.3 would not be the same for th is problem. However, this method of proving uniquness and ex istence demonstrated in this section can still be used in proving uniquness and existence for the problems in section 6.2 and in section 6.3 and may be generalised LO proving existence and uniqueness to the general system Sn, Bn and its corresponding steady state system Sn ' Bn ' It also provides us with bounding solutions. 6.4 UNIQUENESS AND EXISTENCE THEOREMS FOR A MODEL OF AN 202 ARTIFICIAL KIDNEY Nomenclature A The microencapsulated particle surface area - typically 4OOcm2 D The dispersion coefficient, u is the velocity of blood flow -typically 1O-5cm2sec-1 Dm Urea diffusion coefficients in the membrane dp The diameter of the microencapsulated particle - typically 5xlQ-5m D s Urea diffusion coefficients in the urease solution kL The mass transfer coefficient km The Michaelis constant and r is the radial coordinates. The length of the artificial kidney n The number of microencapsulated particles per unit volume of fluid - typically l OS cm-3 � Peclet number - typically 450 for I = l Ocm r mp microencapsulated particle radius r u.s microencapsulated particle radius with urease solution flle Reynolds number - typically 0.05 S The urea concentration in \lIe blood strcam passing through thc artificial kidney, s The urea concentration in the urease solution u The velocity of blood flow - typically 0. 1 cm sec- I V m The maximum reaction rate Z The axial coordinatc. Greek letters a ratio of microencapsulated particl6 radius to microcncapsulated particle radius with urease solution f3 dimensionless Michaelis constant given in (6.4. 1 9) l/J2 Thiele modulus givcn in (6.4. 1 9) r parameter given in (6.4. 1 9) f1 The viscoscity of the microencapsulated particle - typical ly O.01 2g cm scc-t p The density of the microencapsulated particle - typically 1 .2g cm- 3 � parameter given in (6.4. 19) 6.5 A FLUIDISED BED BIOFILM REACTOR (FBBR) MODEL INVOLVING 203 MUL TICOMPON ENTS 6.5 A Fluidised Bed Biotilm Reactor (FBBR) Model Involving Multicomponents In this section, we bring theory into focus by setting out the equations [or a tubular fluidised bed biofilm reactor (FBBR) problem of applied interest. The bioparLicle reaction kinetics involve three chemical components, a substrate s such as phenol or n itrogenous wastes which needs to be converted to harmless byproducts, oxygen 0, an active ingredient which helps facilitate the reaction kinetics and a product p which linearly inhibits the reaction kinetics. The first two components s and 0 have reaction functions of Michaelis­ Menten character. The linear product inhibition term is discussed by LEVENSPlEL [ 1 67] . 6.5 .1 Model Formulation The equations governing bioparticle kinetics are similar to those given in HOSSAIN [ 1 32] where they are expressed in dimensionless terms as follows: where ao 2 2 --;;t - d2V"o = - (hf(s, 0, p) ap 2 2 ' --;;t - d3V"p = tPd(s, 0, p) 111 (0, l1xili.t1, {_S __ O_(I _ p) if s, o ,� o, p � 1 f(s, 0, p) = 1 + filS 1 + fi20 . ° If s, o < O, p > l , with boundary conditions as = ao = ap = ° on (0, Tjxa.Qlx.t1 , an an an � � � . an = f1'1o(S-s) , an = fJ'I.(O-o) , an =f1'Io(P-p) on (0, 1 ]x a.Q2x.t1, and initial conditions s(t, x, z) = o(t, x, z) = 1 , p(t, x, z) = ° in Q x.t1 at t = 0, (6.5.1) (6.5.2) (6.5.3) (6.5.4) (6.5.5) and where .t1 is the il1lerval (0, 1) . The external or bulk fluid concentrations S, 0 and P are g iven by the following equations ap 1 a2 P ap J ap ' . X----- +- + �3 - = 0 111 (0 1 ]x.t1 at [Ie a/ az (Jilz an " willI boundary conditions (6.5.6) 6.5 A FLU IDI5ED BED BIOFI LM REACTOR (FBBR) MODEL INVOLVING 204 MULTICOMPONENTS -_._--_ .. _-_._- _ . . _-- _._._- 1 as 1 dO 1 ap S---= I , 0---= 1 , P---=o at z = 0, I > 0, !jO" (}z � (}z !f'" (}z (}S ao ap -= - = -= 0 at z = 1 , I > 0, az az dZ and initial conditions S(I, z) = 0(1, z) = 1 , P(I, z) = 0 in A at I = O. (6.5.7) (6.5.8) (6.5.9) We see thatfls, o, p) is monotone increasing in s and ° and monotone decreasing in p. Therefore, in (6.5. 1 ) , -¢l f(s, 0, p) and -¢If(s, 0, p) are monotone decreasing in s and ° and monotone increasing in p and ¢i f(s, 0, p) is monotone increasing in s and ° and monotone decreasing in p. By letting C l = S, Cl = S, C2 = 0, C2 = 0, C3 = I-p and C3 = I-P, the associated concentrations c ) , C2, C3 , C l , C2, C 3 infi and Fj are given by _¢2 CtC2C3 , (1 + f3] ct )(1 + f32C2 ) o _¢2 CIC2 , (1 + f3t Ct )(1 + ,l32c2 ) o for c) , c2 � 0 , c3 ::; I for c3 � I , where i "# 3 for c) < 0, where j = 3, where fi is monotone decreasing with respect to c ] , C2 and C3. Also, we see that In dimensionless terms, the bioreactor model equations for I > 0 are aCj - d/v;cj = /; (c) in (0, Tjx.QxA, al aCj =0 on (0, ' f IXd!l] xA, an �� = SP/.( Cj - Cj ) on (0, Tj xa.Q2xA, dCj 1 a2cj aCj J: J dCj - O · (0 'J'J A X---�+-+ ':> ' -- I II X/l (}I � az az ' iJf22 an " 1 ac C ---' = 1 at z = ° I > 0 , � az " ac -' = 0 at z = 1 I > 0 dZ " Cj(t, X, z) = 1 in !l xA at l = O, Cj(l, z) = 1 in A at I = O. (6.5.10) (6.5. 1 1 ) (6.5.12) (6.5. 13) (6.5.14) (6.5. 15) (6.5.16) (6.5.17) (6.5.18) (6.5.19) 6.5 A FLUIDISED BED BIOFILM REACTOR (FBBR) MODEL INVOLVING 205 MUL TlCOMPONENTS 6.5.2 Uniqueness, Existence and Stabil ity We study the stabil ity, uniqueness and existence of solutions of this system by following the path outlined in Chapters 3-4. The comparison functions for el , e2 � 0, e3 � 1 are: with the following inequalities in the boundary conditions ae · ac d� � 0, d� � ° on (0, 1'lXd!2lxA, de · dC· - d� � !fJ1I.(�j - f.j ), d� � !fJ1I.( Cj - Cj ) on (0, TJxdQ2xA, and the following inequalities in the initial condi t iolJs f.j (t, x, z) � 1, Cj (t, x, z) � I in .f2 xA at t= O. Note thaL fj are uncoupled from Cj for each j = 1 , 2, 3. The comparison [uncLions for CI , C2, C3 are: x a�I __ l a 2 �1 + a�1 + �I f afl � O dt � dz2 dz a� dn - 2- - X dC1 __ l d C1 + dCI + ;d dCI � O dt � JT dz aDz an a�2 1 a2 �2 a�2 1= J df.2 a XTt- � azr + Tz + ':>2 aDz an � - 2- - X aC2 __ 1 a C2 + aC2 + �zf aC2 � o dt � az2 az aDz an dC 1 a2 C ac J ae X -=.1 __ -=.1 + -=.1 + ;3 -=:l � () at � az2 az aDz an - 2- - x aC3 __ 1 d C3 + aC3 + �3J aC3 � o at � az2 az aDz an with the following i nequalit ies in the boundary cond i tions 6.5 A FLUIDISED BED BIOFILM REACTOR (FBBR) MODEL INVOLVING 206 MUL TICOMPONENTS 1 ae. - 1 aE C · _ _ -=l.. $ 1 C. _ __ I � 1 at z = 0 t > 0 -I � az ' I g'e az " ae . ae -=l.. $ 0, _I � 0 at z = 1 , t > 0, dz dz and the fol lowing inequalities in the initial conditions �j (t , z) $ 1, C;(t, z) � 1 in A at t = 0, for all i = 1 , 2, 3 . Note that these equations are all uncoupled. From Theorem 3 .2. 1 2 (Generalised Strong Comparison Theorem) we see that for i = 1 ,2,3, fj = C = 0 are lower solutions and Cj = C; = Kj � 1 are upper solutions for constants Kj so that fj = C= 0 and Cj = C; = Kj � 1 on aA) provide bounds for Cj and Cj since the functions j; are negative. Moreover, fj = �j = 0 and Cj = Cj = Kj � 1 are also lower and upper bounds respectively, of the steady state problem and so by Theorem 4.4. 1 , if (; 1 , (;2 and (;3 arc soill tiolls of thc systcm (6.5. 1 2)-(6.5. 1 9) , then or and dC) aC2 aC3 aCI aC2 aC3 < 0 at ' at ' at ' at ' at ' at - , as ao as ao Jt' Jt' at' at $ 0 ap ap > 0 at ' at - . The solutions s, 0, S and 0 therefore decrease monotonically with time and the solutions p and P therefore increase monotonically with time towards a positive l imit which must be a steady state solution of (6.5 . 1 2)­ (6.5 . 1 9) by Theorem 4.4.2. The system S3, B3 is imbedded in the system S6, B6 where inequalities in the above comparison equations are replaced by equalities. Letting Vj =Cj , V j = C; and v3+j = -fj , V 3+j = -�j for j = 1 , 2, 3 and setting j;* = fl ' r;* = � , N+j = -lj and F3:j = -Ej [or j = 1 , 2, 3 , we obtain the following monotone system SJ, B; : 6.5 A FLUIDISED BED BIOFILM REACTOR (FBBR) MODEL INVOLVING 207 MULTICOMPONENTS --- - -- ----------- -- ()V6 -d V2v = f'(V v )= _n.2 vl v2 v6 ()t 3 x 6 J6 I " " 6 '1'3 (1+,8I VI)(l+,82V2) X dY) __ 1 d2Y) + dVI + �I f dVI = 0 dt � dZ2 dZ aDz dn X dV2 __ 1 a2V2 + aV2 + �2f dV2 = 0 dt � az2 az a!J2 an X ()V3 __ 1 a2V3 + ()V3 + �3J aV3 = 0 at �" az2 az . r7!l2 an X ()V4 __ 1 ()2V4 + aV4 + ';I f aV4 =0 at � az2 az r]!JZ an X avs __ 1 �+ avs + �2J ;Jvs = 0 ()t � az az aD2 an X aV6 __ 1 a2V6 + JV6 +�3f JV6 = 0 at � ---;;;r- az r7!l2 an where V I is uncoupled from V4, V2 is uncoupled from vs , and V3 is uncoupled from V6. These have the appropriate boundary uno in i Lial conditions. The matrix at;* is given below rJv J -l/JfVSV6 2 2 0 0 0 -l/J\ V\ V6 -l/J\ v\ vS ( 1 +,8\ VI )2 (1-,82 vs ) (1 +,8\ VI )(1-,82 vS)2 (1+,81 VI )(1-,82 vs ) -l/J'iV4V6 2 -l/JtV4V2 0 0 -f/J2 v2v6 0 (1-,81 V 4)(1 +,82 V2)2 (1 -,81 V 4 )2 (1 +,82 V2) (1-,81 V 4 )(1 +,82 V2 ) 0 0 -l/J�V4VS -l/J�VSV3 -l/J�V4V3 0 (1-,8\ v4)(1 -,82 vS ) (1-,8\ V 4 )2 (1-,82 vS ) (1-,8\ V 4 )(1-,82 vS )2 0 -l/Jfv4v3 -l/Jfv4v2 -l/Jfv2v3 0 0 0-,81 V 4)(1 +,82 V2)2 (1-,8\ v 4 )(1 +,82 V2 ) (1-,81 V 4 )2 (1+,82 v2 ) -l/J5:VSV3 0 -�ivl vs 0 -�iV\ V3 0 (1 +,81 VI )2 (1 -132 VS) (1 +131 V\ )( 1 -,82 vs ) ( 1 +13\ VI )( 1 -,82 vS)2 -l/JjV2V6 2 -l/JjVI V2 -l/J3 vI V6 0 () 0 (1+,81 v1l(1+fi2V2 ) (l+fil VI )( 1+fj2V2)2 (1 +,81 Vl )(1 +132 v2 ) with matrix aij of the linear equations P(c) of the form: or 6.5 A FLUIDISED BED BIOFILM REACTOR (FBBR) MODEL INVOLVING 208 MULTICOMPONENTS 0 0 0 0 .-lL 0 satisfying where and aw a;;� O on a.alxA, Jw - - � y(W- w) on J!22xA, an W � Wj 1'01' all j (6.5.21) j (6.5.22) (6.5.23) (6.5.24) 6.5 A FLU IDISED BED BIOFILM REACTOR (FBBR) MODEL INVOLVING 209 H r=sup-l . j dj MUL TlCOMPONENTS (6.5.25) The equations for (3 .5 . 1 5)-(3 . 5 . 17) are likewise satisfied by Wj = W , if we can find W > 0, satisfying where 2 - -_1 d � _ d W + (t: - �S?t)W+ �f w � O in A, fY'e dz dz af12 - 1 d W W - - - � 1 at z=O, [i'" dz d W - � ° at z= l , dz These scalar equations for w and W uncouple if we set so that w = e(x) W (z) ae an � 0 on aD! , ae � y( I .- 0 ) Oil rHh, (}n and W satisfics the scalar equation - 1 d W W - -- � l at z = 0, [i'" dz d W - � O at z = 1 . dz (6.5.26) (6.5.27) (6.5.28) (6.5.29) (6.5.30) (6.5.31) (6.5.32) (6.5.33) (6.5.34) (6.5.35) (6.5.36) Now A, given by sup (LAj)ldj , depends on the square or the biopanicle size and positive e solutions [or I . equations (6.5 .3 1 )-(6.5.33) exist for small enough A. In the case of large Pcclet number £f'e, where the macroscopic system is convection dominated, the W equation has a solution (6.5.37) for some constant W, if the fol lowing conditions are met 1 2 -K - K +J1 � O , � (6.5.38) where 6.5 A FLUIDISED BED BIOFILM REACTOR (FBBR) MODEL INVOLVING 210 MULTICOMPONENTS J1 ? E - �.9I + � J e . aQ2 Note, K real and positive exists satisfying (6.5.38) if.cY'e ? 4J1. At z = 0, W must also satisfy - 1 dW K W - --- = re [ 1 - -] ? 1 . .cY'e dz @Ie (6.5.39) (6.5.40) This requires .cY'e > K and W large enough. These conditions are met with K=2J1, where � ? 4J1. We conclude that all solutions of Lhe system (6.5 . 1 )-(6.5.5) are stable and there is no more Lhan one steady state solution when Lhe fol lowing two conditions hold: For the given geometry of Q, the boundary value problem (6.5 .3 1 )-(6.5.33) for e has a positive solution. This will be the case if A < Al where Al is the smallest eigenvalue of problem The first requirement is thell that If A < Al and Lhe function e satisfies (6.5 .3 1 )-(6.5.33), and J.1o is given by , J1o = �f ( e - 1) = -.ff de = �A J e , aQ2 r aQ2 dn r Q the second requirement is that � >4J10 =4 �A J e . r Q (6.5.41) (6.5.42) (6.5.43) (6.5.44) (6.5.45) (6.5.46) We therefore have stability and uniqueness for tile system (6.5 . 1 )-(6.5.5) for small enough particles and high enough Peelet number, @Ie. 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 21 1 INVOLVING M U L T1COMPON ENTS 6.6 A Continuous Stirred Basket Reactor (CSBR) Model involving Multicomponents In recent years there has been considerable interest in the possibility of using immobilised enzymes as industrial catalysts. These enzymes are usually trapped in or aLLatched to water-insoluble supports by a variety of methods. In the fol lowing example, a general model is developed for the study of an enzyme reaction inside such porous support pellets contained in a Continuous Stirred Basket Reactor (CSBR). The enzyme reaction kinetics we shall look at in this section involves three chemical components, a substrate s which is converted to a product p under the action of immobilised enzyme, e. The porous support pellet permits the substrate s and product p to move in and out of these pellets but retains the enzyme e because of the larger enzyme molecules. The bulk fluid therefore involves only two chemical components, bulk substrate Sb which is introduced into the reactor as a steady flow and bulk product, Pb which is produced in the reactor. This example is found in literature (HOSSAIN [ 1 32]) and we shall study the question of uniqueness and existence to the time dependent problem using methods developed in this thesis and adapting the theory to reactors such as the CSBR. The objective is to look at the following arbitrary kinetics: (i) Michaelis-Menten type reaction kinetics, (ii) substrate inhibition (non competitive or anticompetitive) type reaction kinetics, (iii) product inhibition (competitive) type reaction kinetics, (iv) product inhibition (non competitive or anticompetitive) type reaction kinetics, (v) zero order kinetics. 6.6.1 The Continuous Stirred Basket Reactor (CSBR) The Continuous Stirred Basket Reactor (CSBR) consists of a cyl indrical vessel in which it is essential to have perfect mixing of the contents. The effect of good mixing is that all ClclllCJJlS of the fluid in the vesscl have virtually the same composition. The liquid motion is induced by mcchanical sLirring. The result is LhaL porous support pcllets contained in the CSBR circulate in a somewhat haphazard manner that characterises the CSBR. A schematic of a CSBR is given in FIG. 6. 1 1 . ., ., ., 0 .. 0 .. OJ .. 0 ., FIG. 6. 1 1 Schematic of a Continuous Stirred lIasket Reactor (CSIIR) 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 212 INVOLVING MULTICOMPONENTS 6.6.2 The Continuous Stirred Basket Reactor (CSBR) Model Formulation The mathematical model of the CSBR is divided into two submodels. The "Support pel let Model" is concerned with reaction and diffusion within a support pellet and the "CSBR Model" which is concerned with bulk fluid concenttations within the reactor. We make the following simplifying assumptions Model Assumptions 1 . The porous pellet is spherical and uniform in size 2 . The effective diffusivities of the substrate and product within the porous pellet are constant 3 . The volume and the density of the reacting medium within the porous pellet are constant 4 . The reaction kinetics within the porous pellet of the main reaction is arbitrary 5 . The process within the porous pellet is diffusion conttolled 6 . The bulk fluid i s perfectly mixed The equations describing the concentrations of intrasupport substrate and product, active enzyme concentration are dP 1 d 2 dP cp - = Dep 2-(r -) + kppf(.I', p)e(r, I ) dl r dr dr de Tt = -kdf(s, p)e(r, t) with boundary conditions dS = dP = 0 at r = 0 dr dr ' dS Des dr = kms(Sb -.I') at r = rp, dP Dep dr = kmpCPb -p) at r = rp' and initial conditions .1'(0, r) = So, pea, r) = 0, e(O, r) = eo(r). The bulk concentrations of substate and product in (he CSBR are given by dSb mp 3 as l V--=F,(SO -Sb)---(Des- ) , dl Pp rp ar r=rp dPb mp 3 dP I V- = -F,Pb ---(Dep- ) , dt Pp rp dr r=rp and initial conditions (6.6.1) (6.6.2) (6.6.3) (6.6.4) (6.6.5) (6.6.6) (6.6.7) (6.6.8) (6.6.9) (6.6.10) (6.6.1 1) 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 213 INVOLVING MUL TICOMPONENTS (6.6.12) Pb = 0 at 1 = O. (6.6.13) For the five kinetic expressions mentioned earlier,j(s, p) has the following form: f(s,p) = for s, p ;::: 0 and f(s, p) = 0, for s, p < O. s s s (s+ Km)(l '+ pi Kj )] 1 Michael is-Menten type kinetics substrate inhibition (non competitive) type kinetics product inhibition (competitive) type kinetics product inhibition (noncompetitive) type kinetics zero order kinetics It may be observed that in the case of Michael is-Menlen type kinelics f(s, p) is monotone increasing with s and independent of p. In lhe case of substrate inhibition (non competitive or anticompetitive) type kinetics f(s, p) is concave down, has a maximum positive value, is independent of p and is zero when s is zero and when s is very large. In the case of product inhibition (competitive) type kinetics, f(s, p) is monotone increasing with s and monotone decreasing in p. In the case of product type inhibition (non competitive or anticompetitive type) kinetics, f(s, p) is monotone increasing with s and monotone decreasing in p. Zero order kinetics is of course independent of both s and p. It may also be observed that this model with constant flow rate Fr, is a limiting case of the more general model developed in Chapter 2 which involves the convection operator u · V . Consider, for example the foHowing equation: aSb -=u ,VSb at ' where the spatial average is defined as (6.6.14) (6.6.15) Differentiating (6.6. 1 5) with respect to t and applying a result from Gauss's Theorem (RUTHERFORD [253, p.77] , we obtain (6.6.16) 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 214 INVOLVING MUL TICOMPONENTS In only one variable, Lhercfore dS _b = uA(Sj - So), dt (6.6.17) where Sj is the inlet concentration and So is the outlet concentration and A is the reactor inlet surface area. Here uA = Fr with the units m3 sec-t o The methods developed i n this thesis for proving uniqueness, existence and stability theorems for more general type equations with a convection term may therefore be adapted to problems where there is a constant flow rate of substrate into the reactor such as that found in our model of the CSBR. For the purposes of mathematical convenience, the terms Fr(SO-Sb) and -FrPb may be considered to be reaction terms in the bulk fluid as there is no convection term involved. Nondimensionalisation of the above governing equations leads to the following equations where, aCl 1 a 2 aCt 2 . -;h- x2 ax (x -;;;) = -¢ h(cl ' c2)c3(x, -r) for 0 < x < 1 , -r > 0, aC2 8 a 2 aC2 2 -a -z-(x -) = ¢ h(Cl ' C2 )C3(x, -r) for 0 < x < 1 , -r > 0, -r x ax ax dC3 2 _ . d-r = -¢ h(Ct , (2)c3 (X, r) lor 0 < x < 1 , r > 0, dCl aCt I _ - = a(1-Ct )-N-- for r > 0, dr ax x=l dC2 N rJC2 1 . -= -aC2 --- lor r > 0 dr 8 ax x=l ' aCt aC2 -a;= dx = 0 at x = 0, -r > 0, aC2 -B ' (C ) , - 1 0 ax - Ip 2 - c2 at x - , r > , C l (O, X) = C t .o f"or O < x < 1 , C2(0, x) = 0 for 0 < x < 1 , C3(0, x) = C3,O(X) for 0 < x < 1 , (6.6.18) (6.6.19) (6.6.20) (6.6.21) (6.6.22) (6.6.23) (6.6.24) (6.6.25) (6.6.26) (6.6.27) (6.6.28) (6.6.29) (6.6.30) 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 215 INVOLVING MULTICOMPONENTS _C_I _ 1 + f3cI Michaeli s- Menten type kinetics substrate inhibition (non competitive) type kinetics product inhibition (competitive) type kinetics product inhibition (noncompctitive) type kinetics zero order kinetics for CI , C2 � 0 and The parameters are (6.6.31) (6.6.32) Also, (6.6.33) for zero order kinetics and (6.6.34) [or Michaelis-Menten, substrate inhibition (non competitive or anticompetitive) and product inhibition (competitive and non competit ive) type kinetics. The variables are r Derl X = -, r = -2-'- ' rp rp cp s p e � Sb Pb So co (r) . Sb i cl = -' c2 = -' c3 = ::-' C1 = - , C2 = -, cI O = -' c3 0 = -_-, CI O = -' , So So eo ' So So ' So ' eo ' So (6.6.35) (6.6.36) where the non ,/,2- ( ) d 2 ... x d - 'I' C3 x, r , r x ox x 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 218 INVOLVING MULTICOMPONENTS The inequalities in the boundary and initial conditions are (6.6.43) (6.6.44) (6.6.45) (6.6.46) (6.6.47) (6.6.48) (6.6.49) (6.6.50) (6.6.51) In the case of Michaelis-Menten, substrate inhibi lion (non competitive or anticompetitive) and product inhibition (competitive and non competitive) type kinetics, we see that the comparison functions for c ) , C2 and (;3 arc all coupled in SOIl lC way. In all cases we also see that the nonlinear reaction functions are monotone increasing in some of the variables and monotone decreasing in all other variables. From section 3 .4 wc see that all these systems may be made into quasimonotone nondecreasing systems (with inequalities replaced by equalities) by the substitution Vj =Cj ' v3+j = -fj for i = 1 , 2, 3 and Vj = C; , V2+j = -kj for i = 1 , 2. However, rather than defining upper and lower solutions for this new monotone system we may stilI define coupled upper and lower solutions of our original system. These as we have seen in section 4.3 for the time independent problem can also give us uniqueness and existence results. In the case of Michaelis-Menten, substrate inhibition (non competitive or anticompetitive) and product inhibition (competitive and non competitive) type kinetics, we shall take fJ = f2 = f3 = kJ = k2 = 0 as lower solutions and look for upper solutions in terms of these lower solutions. In the case of Michaelis-Menten type reaction k inetics the only difficulty is to find functions c) , C2 and c3 that satisfy the inequalities 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 219 INVOLVING MULTICOMPONENTS In this case we may choose ci = � = K] , c2 = C2 = l/J2 K1 K3t , c3 = C3 = K3 , ( 1 + {3K1 ) where K) and K3 are positive conslants satisfying In the case of subSlrate inhibition (non competitive or anlicompetitive) type reaction kinetics the only difficulty is to find functions ci , C2 and C3 that satisfy the inequalities 1 dC2 8 d ( 2 d(2 ) > Al2 1JJr _ ( ) --�- X - ,/, C3 X .. d.. x dx dx - (1 + �)(1 + k:) " In this case we may choose 'IfJr 'IfJr In the case of product inhibition (competitive) type reaction kinetics the only difficulty is to find functions c) , C2 and c3 that satisfy the inequalities dc] __ 1 �(x2 dCl ) � O , d.. x2 dx dx de2 8 d ( 2 de2 ) > Al2 el _ ( ) ---- x - _ '/' C3 x, .. , a.. x2 dx ax {3e] + (1 + )'f:2) . aC3 > 0 a .. - . In this case we may choose where Kl and K3 are positive constants satisfy ing and UlC only difficulty now is 10 find (;2 satisfying 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 220 INVOLVING MULTICOMPONENTS However, since and are unifonnly bounded, we are assured that upper solutions e2 exist and may be constructed (PAO [222]). For example, we may take C2 = C2 = AeR1 , so that AeR1 � ¢2 KI K3, 13K! + ( 1 + rAeR1 ) where A is determined from Ule boundary condLions and R can be chosen large enough. In the case of product inhibition (non competitive or anticompeLiLive) type reaction kinetics the only difficulty is to find functions c! , C2 and C3 that satisfy Ule inequalities de2 _ 8 �(x2 d(2 )" � ifJ2 el c3 (x, 1") , d1" 7" dX dX (I + /3e) )(1 + Jf"2) OC3 > 0 o-r - . In this case we may choose where KI and K3 are positive constants satisfying and the only difficulty now is to find (;2 satisfying However, since and are unifonnly bounded, we are assured that upper solutions (;2 ex ist and may be constructed (PAO [222]). For example, we may take c2 = C2 = AeR1 , so that Aeu1 � ¢2 K) K3, (1 + /3K) ( 1 + rAe/(l ) where A is determined from me boundary condtions and R can be chosen large enough. 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 221 INVOLVING MULTICOMPONENTS In the case of zero order kinetics we may take f2 = f3 = �2 = 0 as lower solutions. The only d i lTiculty is Lo find functions fl ' £:1 ' £:2 and £:3 that satisfy the inequalities In this case we may choose where Kl and K3 are positive constants satisfying and the only difficulty now is to find fl and c2 satisfying dfl __ l .i.(x2 df1 ) 5, _l/)2K3 . d'r x2 dX dX dC2 _�.i.(x2 d(2 ) ? l/)2K3 • d'r x2 ax ax . Our comparison functions provide us with valid coupled lower and upper solutions fl ' f2 ' f3 ' �l ' �2 and el ' e2 ' e3 ' C; . C2 • respecti vely for the time dependent problem (6.6. 1 S)-(6.6.30) with fl 5, Cj . £2 5, e2 ' f3 5, e3 ' �I 5, C; and �2 5, C2 . Since our HOlder and Lipschitz continuity properties arc satisfied by the nonlinear terms there exists a unique solution of the problem (6.6. 1 8)-(6.6.30) by Theorem 3.3 . 1 and results from section 3.6. 6.6.4 Conclusions and Remarks Our coupled upper and lower solutions also provide us with bounds on the solution. C I . C2. q. C 1 and C2. These bounds can all be interpreted physical ly . The existence of solutions to the steady slate problem is treated similary by following the methods in this section and using Theorem 4.3.3 (Generalised Existence Theorem) for nonmonotone systems. The study of stability and uniqueness of the steady state problem follows along the lines set forward in section 6.5. Nole lhal fl = �I = 0 is nOl a universal lower bound on (;1 in the case or zero order kinetics and c ) may possess a negative solution. This o f course i s physically unrealistic and the problem would have to redefined to avoid this. I t can be shown with the strong maximum principle that f2 ' f3 and �2 are strictly bounded below by zero and so therefore is (;2. C) and C2. However we cannot say this of zero order kinetics, (in facl of fractional order kinetics) which may al low for incoJllplete pcnctration of substrate (PARSI IOTAM 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 222 INVOLVING MULTICOMPONENTS (223]) in our model . The physical impl ications of this is that substrate concentrations may approach and reach zero concentration somewhere in a panicle and reactor but product and enzyme concentrations will never reach zero. Nomenclature A reactor inlet surface area B is B iot number for substrate mass transfer B ip B iot number for product mass transfer CI nondimensional intracatalyst substrate concentration C2 nondimensional product concentration C3 nondimensional immobilised enzyme concentration C1 nondimensional reactor substrate concentration C2 nondimensional reactor product concentration dp diameter of particle Des effective diffusivity of substrate in the pellet D p effective diff usivity of product in the pellet e active imrnobilised enzyme concentration in the pellet eo initial distribution of active immobilised enzyme concentration iii) mean active enzyme concentration defined in (6.6.37) f arbitrary kinetic exprcssion F, Volumetric flow rate of substrate to the reactor h arbitrary kinetic expression k enzymatic reaction rate constant kd deactivation rate constant of immobiliscd eni',Ylllc conccntration Ki Inhibition constant for the supported catalyst Km Michaelis-Menten constant for the supported catalyst kmp mass transfer coefficients of the product kms mass transfer coefficients of the substrate mp total mass of the enzyme pellet in the reactor N ratio of support volume to that or reaclOr - defined in (6,6.3 1 ) p intrasupport product concen\Iation P b Bulk concentration of the product in the reactor r radial position in thc pellct rp pellet radius s intracatalyst substrate concentration So Inlet concentration of substrate Sb Bulk concentration of substrate in the reactor S b, i Initial bulk concentration of substrate in the reactor real time u variable flow rate into the reactor V volume of the reacting solutions or of the CSBR x nondimensional spatial variable 6.6 A CONTINUOUS STIRRED BASKET REACTOR (CSTR) MODEL 223 INVOLVING MU LTICOMPONENTS Greek letters a parameter defined in (6.6.3 1 ) fJ parameter defined in (6.6.3 1 ) o parameter defined in (6.6.3 1 ) Ep partical voidage, i.e., initial porosity of support pellet rp2 Thiele moduli defined in (6.6.33)-(6.6.34) r parameter defined in (6.6.3 1 ) Pp pellet density ljI parameter defined in (6.6.3 1 ) l' dimensionless time 6.7 Notes and Comments 6.7 NOTES AND COMMENTS 224 Section 6.1 is adapted from PARSHOTAM et al. [225], section 6.2 is adapted from PARSI IOTAM et al. [226J, section 6.3 is adapted from PARSHOTAM [227], section 6.4 is adapted from PARSI IOTAM [229] and section 6.5 is adapted from PARSHOTAM [228]. Note that the analytical bounds demonstrated in section 6.2 can be improved by using techniques developed in section 6. 1 . These techniques however are not so straightforward and may also be applied in some cases to systems of such equations. An exact analytical solution to the systcm Sn, Bn with porous spherical particles and a cylindrical isothermal adsorption column without reaction in either particles nor the reactor and for a single chemical component has been derived by RASMUSON and NERETNIEKS [243] and is improved by RASMUSON [244]. The fast Fourier transform (FFT) has also been used in these problems (CI IEN and HSU) to predict breakthrough curves for this problem and this is compared with the orthogonal collocation results of RAGl-1A V AN and RUTHVEN [237] . In section 6.5 the function fi(c) in equation (6.5 . 1 0) is not only monotonically decreasing with respect to Cj but it is also a negative function which is concave up and 1;(0) = O. Therefore a linearisation of this function by a Taylor's series expansion, uncoupling the resulting linear equations by using methods developed in Chapter 5 and solving these linear equations should give a solution which is a lower bound of the original system. Similarly, an upper bound may be constructed along the same lines by using methods developed example 6.2 and these bounds can also be improved by using the methods developed in example 6. 1 . In general tJlis tJleory may bc applicd to the systems Sn ' Bn and Sn ' Bn if aij, A ij � 0 and Jij or F ij arc either concave up or concave down for all i , }. Note that this conclusion would not be reached if the '" substitution C3 = 1 - P and C3 = 1 - P had not been made. In this case we may stil l have got monotone A. system but it is not true that aij � 0 for i = j. In section 6.5, we have stability and uniqueness lor small enough particles and high Peclet number. This is consistent with what is well documented in l i terature from numerical and analytical studies for reactors and particles (McGUIRE and LAPIDUS [ 1 8 1 ], GAVALAS [104], HLAVACEK [ 1 27-131], HELLlNCKX et al. [ 122], Luss [ 1 74, 175J, Luss and AMUNDSON [173J and WEISZ and HICKS [307]). In section 6.6 we see that substrate concentrations may decrease and approach zero somewhere in lhe interior of the reactor or particle. From a physical standpoint, this concept of partial penetration or incomplete penetration of substrate through a particle is very important to operating conditions. It can be demonstrated that certain kinetics cannot allow for parlial or incomplete penetration (PARSI IOTAM [223,225,226]) in a particle i n a reactor. This problem has i ts mathematical analogy in demonstrating the existence or nonex istence of a dead core or finding nonnegative solutions with interior zeros (BANDLE and STAKGOLD [ 3 1 ], BANDLE, et al. 1 .3 1 , 32/, BOBISUD [39-4 1 ] , FRIEDMAN and Pl l lLlPS / 95 /) and thesc problems do not exist in positone problems (CASTRO and Sl llVAJI [ 5 1 j) . It can be shown by the max imum principle thaI for some kinetics, this dead core is empty and this behaviour of solutions usually occurs with zero order and fractional order kinetics (GRAHAM-EAGLE and STAKGOLD [108]). These results may also be generalised to systems of equations by the methods developed in tJlis thesis. References and B ibliography [ 1 ] ADAMS, R.A., 1975, SobolQY Spaces, Academic Press, New York. [2] AlBA, S. ; HUMPHREY, A.E. and MILLS, N.F., 1965, Biochemical Engineering, Academic Press, New York, 309-341 . 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