Mathematical modeling of heterogeneous catalysis involving polymer-supported catalysts

Abstract

This study reports the mathematical modeling of catalytic reaction systems involving polymer-supported catalysts. Differential mass balances were applied to species and the partial differential equations were solved through the method of lines in MATLAB®. Etherification and esterification reactions were studied with the present model and validation was performed with literature data, providing fair agreement. Furthermore, the model proved capable of predicting concentration gradients along the catalyst particles, providing an interesting level of detail to represent catalytic heterogeneous systems.