Designing a Software for Kinetic Simulation of Heterogeneous Catalytic Reactions

In this study, problems concerned with kinetic experiments of intrinsic rates in heterogeneous catalytic reactions were first discussed and then a software was designed to facilitate the design of kinetic experiments, estimation of kinetic parameters and discrimination among competing kinetic models. Suitable selection of a kinetic model is essential in reactor designing, scale-up, material selection and minimizing the capital expenditures. The software designed in this study, consists a database that offers various information such as: process information, process flow diagrams, commercial catalysts used in industrial processes, the major manufactures, type of reactors, etc. The kinetic parameters are estimated using a non-linear regression algorithm and discrimination among rival models was done using statistical data of Bartlett’s χ2 test.