Mathematical modeling of multicomponent mass diffusion in porous pellets: Mass and molar formulations

摘要

Heterogeneous catalysis is of outermost significance in many fields of gas conversion and processing in chemical industries. Accurate modeling of intra-particle heat and mass transport is a prerequisite for the design of many industrial processes and the interpretation of experiments. In recent literature, deviations are noticed between simulation results of mole and mass formulated pellet model equations. Further investigations are thus required to reveal the reason for this deviation. In this study, a survey is given discussing the different assumptions commonly adopted within the pellet modeling framework. The modeling framework outlined both on mass and molar basis may provide as a basis for further investigations on model simulation comparisons of mole and mass based pellet equations.