Modeling of cyclohexene hydrogenation and dehydrogenation reactions in a continuous-flow microreactor

Microreactors provide opportunities for improving process efficiency and control in chemical/biochemical kinetic studies. Advantages of microreactors, as compared to normal scale reactors, include high surface to volume ratio, improved heat and mass transfer properties, small size, negligible chemical waste, and increased safety. In this study, we use a stochastic compartmental modeling approach to model a continuous-flow microreactor with chemical reaction. The stochastic model developed is general, simple, and can be easily solved analytically. We apply the model to cyclohexene hydrogenation and dehydrogenation reactions. Model parameters were estimated by fitting the model to experimental data on cyclohexene conversion, From these estimates. it was possible to characterize the residence time distribution of the microreactor, to estimate the reaction kinetic parameters, and to predict cyclohexene conversion. (c) 2006 Elsevier B.V. All rights reserved.