Chem. Eng. Sci.

The cell model approach was extended to the catalytic reaction over a spherical catalyst pellet and the effects of several parameters on the effectiveness factor were investigated via numerical simulation. The proposed mathematical model consisted of the partial differential equations for gas reactant flow in the external gas phase around a catalyst sphere, mass transport in the gas phase, and two-dimensional diffusion-reaction in the catalytic sphere. Numerical simulation in the orthogonal boundary fitted reference frame demonstrated the decrease in effectiveness factor of a catalyst sphere due to the external mass transfer resistance and inter-particle hydrodynamic interaction. It was observed that the voidage of the particle assemblage shows more recognized influence than the Peclet and Reynolds numbers of particles and the azimuthal diffusion of reactant inside the particle was negligible. On this basis, a simplified set of cell model equations for catalytic reaction in particle assemblages were proposed. An example of optimizing search indicated the present model may be used to detect the most strong influence on catalytic reaction in particle assemblage over the practical ranges of operating and designing parameters to avoid excessive loss in the effectiveness factor. (c) 2007 Elsevier Ltd. All rights reserved.The cell model approach was extended to the catalytic reaction over a spherical catalyst pellet and the effects of several parameters on the effectiveness factor were investigated via numerical simulation. The proposed mathematical model consisted of the partial differential equations for gas reactant flow in the external gas phase around a catalyst sphere, mass transport in the gas phase, and two-dimensional diffusion-reaction in the catalytic sphere. Numerical simulation in the orthogonal boundary fitted reference frame demonstrated the decrease in effectiveness factor of a catalyst sphere due to the external mass transfer resistance and inter-particle hydrodynamic interaction. It was observed that the voidage of the particle assemblage shows more recognized influence than the Peclet and Reynolds numbers of particles and the azimuthal diffusion of reactant inside the particle was negligible. On this basis, a simplified set of cell model equations for catalytic reaction in particle assemblages were proposed. An example of optimizing search indicated the present model may be used to detect the most strong influence on catalytic reaction in particle assemblage over the practical ranges of operating and designing parameters to avoid excessive loss in the effectiveness factor. (c) 2007 Elsevier Ltd. All rights reserved