Physical Sciences and Mathematics Commons^™

Mathematical And Empirical Modeling Of Chemical Reactions In A Microreactor, Jing Hu

Doctoral Dissertations

This dissertation is concerned with mathematical and empirical modeling to simulate three important chemical reactions (cyclohexene hydrogenation and dehydrogenation, preferential oxidation of carbon monoxide, and the Fischer-Tropsch (F-T) synthesis in a microreaction system.

Empirical modeling and optimization techniques based on experimental design (Central Composite Design (CCD)) and response surface methodology were applied to these three chemical reactions. Regression models were built, and the operating conditions (such as temperature, the ratio of the reactants, and total flow rate) which maximize reactant conversion and product selectivity were determined for each reaction.

A probability model for predicting the probability that a certain species …