Learning on chemical equilibrium shift assessment for membrane reactors using Gibbs free energy minimization method

Abstract

This work presents how to deal with calculations of equilibrium shift in a membrane reactor using Gibbs free energy minimization method. Students are required to use the thermodynamic relations, stoichiometric table for membrane-assisted process, reliable physical property databases, optimization tools and mass balances fundamentals. As an example, catalytic dehydrogenation of cyclohexane, relevant for hydrogen storage and supply, was solved using MatLab® software. The equilibrium shift conversion as well as the influence of membrane reactor operational parameters were clearly demonstrated. Simulation results were successfully compared with the experimental data previously published in open literature. Thus, this exercise can help undergraduate students of chemical engineering to master the complex issues involved in chemical equilibrium calculations, offering them an opportunity to practice the application of modern numerical problem-solving tools for reacting systems.