This paper reports a numerical approach for modelling the thermal behavior and heat accumulation/liberation of sustainable cementitious composites made with Recycled Brick Aggregates (RBAs) employed as carriers for Phase-Change Materials (PCMs). In the framework of the further development of the fixed grid modelling method, classically employed for solving the well-known Stefan problem, an enthalpy-based approach and an apparent calorific capacity method have been proposed and validated. More specifically, the results of an experimental program, following an advanced incorporation and immobilization technique, developed at the Institut für Werkstoffe im Bauwesen for investigating the thermal responses of various combinations of PCM-RBAs, have been considered as the benchmark to calibrate/validate the numerical results. Promising numerical results have been obtained, and temperature simulations showed good agreement with the experimental data of the analyzed mixtures.

Notre travail est consacré à la définition, l'analyse et l'implémentation de nouveaux algorithmes numériques pour l'approximation de la solution de problèmes à 2 dimensions du type problème de Stefan. Dans ce type de problèmes une équation aux dérivée partielle parabolique posée sur un ouvert omega quelconque est couplée avec une autre équation qui contrôle la frontière gamma du domaine lui même. Les difficultés classiquement associés à ce type de problèmes sont: la formulation en particulier de l'équation pour le bord du domaine, l'approximation de la solution liées à la forme quelconque du domaine, les difficultés associées à l'implication des opérateurs de trace (approximation, conditionnement), les difficultés liées aux de régularité fonds du domaine.De plus, de nombreuse situations d'intérêt physique par exemple demandent des approximations de haut degré. Notre travail s'appuie sur une formulation de type espaces de niveaux (level set) pour l'équation du domaine, et une formulation de type domaine fictif (Omega) pour l'équation initiale.Le contrôle des conditions aux limites est effectué à partir de multiplicateurs de Lagrange agissant sur une frontière (Gamma) dite de contrôle différente de frontière(gamma) du domaine (omega). L'approximation est faite à partir d'un schéma aux différences finies pour les dérivées temporelle et une discrétisation à l'aide d'ondelettes bi-dimensionelles pour l'équation initiale et une dimensionnelle pour les multiplicateurs de Lagrange. Des opérateurs de prolongement de omega à Omega sont également construits à partir d'analyse multiéchelle sur l'intervalle. Nous obtenons aussi: une formulation pour laquelle existence de la solution est démontrées, un algorithme convergent pour laquelle une estimation globale d'erreur (sur Omega) est établie, une estimation intérieure prouvant sur l'erreur à un domaine omega, overline omega subset Xi, des estimations sur les conditionnement associés a l'opérateur de trace, des algorithmes de prolongement régulier. Différentes expériences numériques en 1D ou 2D sont effectuées. Le manuscrit est organisé comme suit: Le premier chapitre rappelle la construction des analyses multirésolutions, les propriétés importantes des ondelettes et des algorithmes numériques liées à l'application d'opérateurs aux dérivées partielles. Le second chapitre donne un aperçu des méthodes de domaine fictif classiques, approchées par la méthode de Galerkin ou de Petrov-Galerkin. Nous y découvrons les limites de ces méthodes ce qui donne la direction de notre travail. Le chapitre trois présente notre nouvelle méthode de domaine fictif que l'on appelle méthode de domaine fictif lisse.L'approximation est grâce à une méthode d'ondelettes de type Petrov-Galerkin. Cette section contient l'analyse théorique et décrit la mise en œuvre numérique. Différents avantages de cette méthode sont démontrés. Le chapitre quatre introduit une technique de prolongement régulier. Nous l'appliquons à des problèmes elliptiques en 1D ou 2D.\par Le cinquième chapitre décrit quelques simulations numériques de problème de Stefan. Nous testons l'efficacité de notre méthode sur différents exemples dont le problème de Stefan à 2 phases avec conditions aux limites de Gibbs-Thomson. / Our work is devoted to the definition, analysis and implementation of a new algorithms for numerical approximation of the solution of 2 dimensional Stefan problem. In this type of problem a parabolic partial differential equation defined on an openset Omega is coupled with another equation which controls the boundary gamma of the domain itself. The difficulties traditionally associated with this type of problems are: the particular formulation of equation on the boundary of domain, the approximation of the solution defined on general domain, the difficulties associated with the involvement of trace operation (approximation, conditioning), the difficulties associated with the regularity of domain. Addition, many situations of physical interest, for example,require approximations of high degree. Our work is based on aformulation of type level set for the equation on the domain, and aformulation of type fictitious domain (Omega) for the initialequation. The control of boundary conditions is carried out throughLagrange multipliers on boundary (Gamma), called control boundary, which is different with boundary (gamma) of the domain (omega). The approximation is done by a finite difference scheme for time derivative and the discretization by bi-dimensional wave letfor the initial equation and one-dimensional wave let for the Lagrange multipliers. The extension operators from omega to Omega are also constructed from multiresolution analysis on theinterval. We also obtain: a formulation for which the existence of solution is demonstrated, a convergent algorithm for which a global estimate error (on Omega) is established, interior error estimate on domain omega, overline omega subset estimates on the conditioning related to the trace operator, algorithms of smooth extension. Different numerical experiments in 1D or 2D are implemented. The work is organized as follows:The first chapter recalls theconstruction of multiresolution analysis, important properties of wavelet and numerical algorithms. The second chapter gives an outline of classical fictitious domain method, using Galerkin or Petrov-Galerkin method. We also describe the limitation of this method and point out the direction of our work.\par The third chapter presents a smooth fictitious domain method. It is coupled with Petrov-Galerkin wavelet method for elliptic equations. This section contains the theoretical analysis and numerical implementation to embody the advantages of this new method. The fourth chapter introduces a smooth extension technique. We apply it to elliptic problem with smooth fictitious domain method in 1D and 2D. The fifth chapter is the numerical simulation of the Stefan problem. The property of B-spline render us to exactly calculate the curvature on the moving boundary. We use two examples to test the efficiency of our new method. Then it is used to resolve the two-phase Stefan problem with Gibbs-Thomson boundary condition as an experimental case.

The thesis contains a survey of numerical tools for studying thermomechanical interactions of a two-phase system contained in a domain with an upper bound- ary that forms a free surface. The enthalpy diffused-interface formulation is used for an approximation of the phase change interface and the computing algorithm is benchmarked against an analytical solution of the Stefan problem. Arbitrary Lagrangian-Eulerian kinematical description of the continuum is applied to over- come the difficulty in the form of the free surface. The validity of the approach is examined on a thermal convection benchmark problem. 1

The semiconducting compounds CdTe and CdZnTe have important applications in high-energy radiation detectors and as substrates for infrared devices. The materials offer large band gaps, high resistivity, and excellent charge transport properties; however all of these properties rely on very precise control of the material composition. Growing bulk crystals by the travelling heater method (THM) offers excellent compositional control and fewer defects compared to gradient freezing, but it is also much slower and more expensive. A particular challenge is the current need to grow new crystals onto existing seeds of similar size and quality. Simulations and experiments are used in this work to investigate the feasibility of growing these materials by THM without the use of large seed crystals. A new fixed-grid, multiphase finite element model was developed based on the level set method and used to calculate the mass transport regime and interface shapes inside the growth ampoule. The diffusivity of CdTe in liquid tellurium was measured through dissolution experiments, which also served to validate the model. Simulations of tapered THM growth find conditions similar to untapered growth with interface shapes that are sensitive to strong thermosolutal convection. Favourable growth conditions are achievable only if convection can be controlled. In preliminary experiments, tapered GaSb crystals were successfully grown by THM and large CdTe grains were produced by gradient freezing. Beginning with this seed material, 25 mm diameter CdTe and CdZnTe crystals were grown on 10 mm diameter seeds, and 65 mm diameter CdTe on 25 mm seeds. Unseeded THM growth was also investigated, as well as ampoule rotation and a range of thermal conditions and ampoule surface coatings. Outward growth beyond one or two centimeters was achieved only at small diameters and included secondary grains and twin defects; however, limited outward growth of larger seeds and agreement between experimental and numerical results suggest that tapered growth may be achievable in the future. This would require active temperature control at the base of the crystal and reduction of convection through thermal design or by rotation of the ampoule or applied magnetic fields. / Graduate / 0346 / 0794 / 0548 / jordan.roszmann@gmail.com

L’apparition massive de nids de poule sur chaussées bitumineuses a été observée en cours d’hiver sur de très courtes périodes de temps, caractérisées par l’alternance entre températures positives et fortement négatives accompagnée de précipitations pluvieuses. Ceci a conduit à rechercher un mécanisme spécifique de dégradation de couches d’enrobés bitumineux (EB) lié au comportement au gel des EB partiellement saturés en eau. Celui-ci a été étudié en laboratoire à partir d’essais à déformation libre ou empêchée, avec ajout de chaux pour certaines formules d’EB.Ces essais ont montré l’apparition de déformations de gonflement ou contraintes importantes induites lors du gel de l’eau interstitielle. D’autres essais utilisant l’IRM ont permis de visualiser le phénomène au sein du matériau. Sur la base de ces essais, nous proposons une loi de comportement thermoviscoélastique avec changement de phase pour EB. Un programme aux éléments finis a été développé (Free Fem++)pour intégrer cette loi dans le calcul de structures ; ce code couple les équations mécaniques et de diffusion de la chaleur prenant également en compte le changement de phase à travers la chaleur latente de solidification de l’eau interstitielle.Après validation du logiciel, celui-ci a été appliqué au calcul de structures bitumineuses bicouches représentatives des couches supérieures d’une chaussée. Les résultats mettent alors en évidence l’apparition de contraintes d’arrachement élevées à l’interface entre couches générées par le gel,susceptibles d’expliquer la formation de nids de poule. Un essai de laboratoire sur bicouche a confirmé la fragilisation de l’interface induite dès le premier cycle de gel. / Massive development of potholes occurring in bituminous pavements was observed during winters over short time laps characterized by temperature alternating between positive and highly negative values along with rainfalls. This led us to seek for a specific mechanism of degradation of asphalt concrete (AC) layers, related to the behavior of partially saturated AC subjected to freeze. Two types of laboratory tests were performed under traction free and restrained strain conditions to study the behavior of AC within this context, incorporating lime additive in some mix design formulations. These tests showed the development of large swelling strains or stresses induced by the phase change of pore water into ice. Additional tests using MRI allowed us to visualize this phenomenon from inside the material specimens. Based on these tests, we developed a thermoviscoelastic constitutive law including phase change for partially saturated AC. A Finite Element (FE) program was implemented (FreeFem++) to introduce the developed law instructural calculations; this FE code handles the coupling between mechanics and the heat equation, also taking into account the phase change through the latent heat of crystallization of pore water. After validating the software, this numerical tool was utilized to compute the response of bilayer bituminous structures representative of the upper layers of a pavement. The results obtained show the development of highfrost-induced pull-out stresses located at the interface between the layers, likely to explain the formation of potholes. A test carried out on a bilayer sample confirmed the weakening of the interface right after the first frost cycle.

The design and optimization of entrained flow gasifiers is conducted more and more via computational fluid dynamics (CFD). A detailed resolution of single coal particles within such simulations is nowadays not possible due to computational limitations. Therefore the coal particle conversion is often represented by simple 0-D models. For an optimization of such 0-D models a precise understanding of the physical processes at the boundary layer and within the particle is necessary. In real gasifiers the particles experience Reynolds numbers up to 10000. However in the literature the conversion of coal particles is mainly regarded under quiescent conditions. Therefore an analysis of the conversion of single particles is needed. Thereto the computational fluid dynamics can be used. For the detailed analysis of single reacting particles under flow conditions a CFD model is presented. Practice-oriented parameters as well as features of the CFD model result from CFD simulations of a Siemens 200MWentrained flow gasifier. The CFD model is validated against an analytical model as well as two experimental data-sets taken from the literature. In all cases good agreement between the CFD and the analytics/experiments is shown. The numerical model is used to study single moving solid particles under combustion conditions. The analyzed parameters are namely the Reynolds number, the ambient temperature, the particle size, the operating pressure, the particle shape, the coal type and the composition of the gas. It is shown that for a wide range of the analyzed parameter range no complete flame exists around moving particles. This is in contrast to observations made by other authors for particles in quiescent atmospheres. For high operating pressures, low Reynolds numbers, large particle diameters and high ambient temperatures a flame exists in the wake of the particle. The impact of such a flame on the conversion of the particle is low. For high steam concentrations in the gas a flame appears, which interacts with the particle and influences its conversion. Furthermore the impact of the Stefan-flow on the boundary layer of the particle is studied. It is demonstrated that the Stefan-flow can reduce the drag coefficient and the Nusselt number for several orders of magnitude. On basis of the CFD results two new correlations are presented for the drag coefficient and the Nusselt number. The comparison between the correlations and the CFD shows a significant improvement of the new correlations in comparison to archived correlations. The CFD-model is further used to study moving single porous particles under gasifying conditions. Therefore a 2-D axis-symmetric system of non-touching tori as well as a complex 3-D geometry based on the an inverted settlement of monodisperse spheres is utilized. With these geometries the influence of the Reynolds number, the ambient temperature, the porosity, the intrinsic surface and the size of the radiating surface is analyzed. The studies show, that the influence of the flow on the particle conversion is moderate. In particular the impact of the flow on the intrinsic transport and conversion processes is mainly negligible. The size of the radiating surface has a similar impact on the conversion as the flow in the regarded parameter range. On basis of the CFD calculations two 0-D models for the combustion and gasification of moving particles are presented. These models can reproduce the results predicted by the CFD sufficiently for a wide parameter range.

The design and optimization of entrained flow gasifiers is conducted more and more via computational fluid dynamics (CFD). A detailed resolution of single coal particles within such simulations is nowadays not possible due to computational limitations. Therefore the coal particle conversion is often represented by simple 0-D models. For an optimization of such 0-D models a precise understanding of the physical processes at the boundary layer and within the particle is necessary. In real gasifiers the particles experience Reynolds numbers up to 10000. However in the literature the conversion of coal particles is mainly regarded under quiescent conditions. Therefore an analysis of the conversion of single particles is needed. Thereto the computational fluid dynamics can be used. For the detailed analysis of single reacting particles under flow conditions a CFD model is presented. Practice-oriented parameters as well as features of the CFD model result from CFD simulations of a Siemens 200MWentrained flow gasifier. The CFD model is validated against an analytical model as well as two experimental data-sets taken from the literature. In all cases good agreement between the CFD and the analytics/experiments is shown. The numerical model is used to study single moving solid particles under combustion conditions. The analyzed parameters are namely the Reynolds number, the ambient temperature, the particle size, the operating pressure, the particle shape, the coal type and the composition of the gas. It is shown that for a wide range of the analyzed parameter range no complete flame exists around moving particles. This is in contrast to observations made by other authors for particles in quiescent atmospheres. For high operating pressures, low Reynolds numbers, large particle diameters and high ambient temperatures a flame exists in the wake of the particle. The impact of such a flame on the conversion of the particle is low. For high steam concentrations in the gas a flame appears, which interacts with the particle and influences its conversion. Furthermore the impact of the Stefan-flow on the boundary layer of the particle is studied. It is demonstrated that the Stefan-flow can reduce the drag coefficient and the Nusselt number for several orders of magnitude. On basis of the CFD results two new correlations are presented for the drag coefficient and the Nusselt number. The comparison between the correlations and the CFD shows a significant improvement of the new correlations in comparison to archived correlations. The CFD-model is further used to study moving single porous particles under gasifying conditions. Therefore a 2-D axis-symmetric system of non-touching tori as well as a complex 3-D geometry based on the an inverted settlement of monodisperse spheres is utilized. With these geometries the influence of the Reynolds number, the ambient temperature, the porosity, the intrinsic surface and the size of the radiating surface is analyzed. The studies show, that the influence of the flow on the particle conversion is moderate. In particular the impact of the flow on the intrinsic transport and conversion processes is mainly negligible. The size of the radiating surface has a similar impact on the conversion as the flow in the regarded parameter range. On basis of the CFD calculations two 0-D models for the combustion and gasification of moving particles are presented. These models can reproduce the results predicted by the CFD sufficiently for a wide parameter range.:List of Figures . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . IX List of Tables . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .XIII Nomenclature . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . XV Abstract . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . XIX 1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .1 1.1 State of the Art in Carbon Conversion Modeling . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 1.1.1 Combustion of Solid Particles . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4 1.1.2 Gasification of Porous Particles . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6 1.2 Classification of the Present Work . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7 1.3 Overview of the Work . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .7 2 Basic Theory and Model Formulation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 2.1 Geometry and Length Scales of Coal Particles . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .9 2.2 Conditions in a Siemens Like 200 MW Entrained Flow Gasifier . . . . . . . . . . . . . . . . . . . . 11 2.2.1 Velocity Field . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .12 2.2.2 Temperature Distribution . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16 2.2.3 Particle Volume Fraction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .19 2.3 Time Scales of the Physical Processes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20 2.4 Basic Assumptions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .21 2.5 Conservation Equations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22 2.6 Gas Properties . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .26 2.7 Boundary Conditions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29 2.8 Numerics and Solution Strategy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .30 2.9 Mesh and Domain . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .31 3 CFD-based Oxidation Modeling of a Non-Porous Carbon Particle . . . . . . . . . . . . . . . . . . . . .37 3.1 Chemical Reaction System for Combustion . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .37 3.1.1 Heterogeneous Reactions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .37 3.1.2 Homogeneous Reactions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .40 3.1.3 Comparison of the Semi-Global vs. Reduced Reaction Mechanisms for the Gas Phase . .41 3.2 Validation . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .43 3.2.1 Validation Against an Analytical Solution of the Two-Film Model . . . . . . . . . . . . . . . . . .43 3.2.2 Validation Against Experiments I . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45 3.2.3 Validation Against Experiments II . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .49 3.3 Influence of Ambient Temperature and Reynolds Number . . . . . . . . . . . . . . . . . . . . . . . .51 3.4 Influence of Heterogeneous Kinetics . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59 3.5 Influence of Atmosphere . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .61 3.6 Influence of Operating Pressure . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .66 3.7 Influence of Particle Diameter . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .70 3.8 The influence of Particle Shape . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73 3.9 Impact of Stefan Flow on the Boundary Layer . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80 3.9.1 Impact of Stefan Flow on the Drag Coefficient . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .83 3.9.2 Impact of Stefan Flow on the Nusselt and Sherwood Number . . . . . . . . . . . . . . . . . . . .85 3.10 Single-Film Sub-Model vs. CFD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90 3.11 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96 4 CFD-based Numerical Modeling of Partial Oxidation of a Porous Carbon Particle . . . . . . . . . .99 4.1 Chemical Reaction System for Gasification . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 100 4.1.1 Heterogeneous Chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .100 4.1.2 Homogeneous Chemistry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 101 4.2 Two-Dimensional Simulations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106 4.2.1 Geometry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106 4.2.2 Influence of Reynolds Number and Ambient Temperature . . . . . . . . . . . . . . . . . . . . . .109 4.2.3 Influence of Porosity and Internal Surface . . . . . . . .. . . . . . . . . . . . . . . . . . . . . . . . . 120 4.3 Comparative Three-Dimensional Simulations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 126 4.3.1 Geometry . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .126 4.3.2 Results of the 3-D Calculations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127 4.4 Extended Sub-Model for Gasification . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .133 4.5 Summary . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .138 5 Conclusions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . .141 5.1 Summary of This Work . . . . . . . . . . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . . . . . . .141 5.2 Recommendations for Future Works . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 143 Bibliography . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .145 6 Appendix . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 157 6.1 Appendix I: Properties . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 157 6.2 Appendix II: Two-Film Model . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 158 6.3 Appendix III: Sub-Model for the Combustion of Solid Particles . . . . . . . . . . . . . . . . . . . . 160 6.4 Appendix IV: Sub-Model for the Gasification of Porous Particles . . . . . . . . . . . . . . . . . . . 161