Mathematical modeling of heterogeneous catalysis involving polymer-supported catalysts

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...

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Bibliographic Details
Published in:Kinetics and catalysis 2017, Vol.58 (2), p.211-217
Main Authors: Silva, H. A., Aguiar, L. G.
Format: Article
Language:English
Subjects:
Catalysis
Catalysts
Chemistry
Chemistry and Materials Science
Concentration gradient
Esterification
Mathematical analysis
Mathematical models
Method of lines
Partial differential equations
Physical Chemistry
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Summary: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.
ISSN:0023-1584
1608-3210
DOI:10.1134/S0023158417020112