Abstract
The simulation of chemical kinetic models is necessary in order to analyze comprehensive chemical reaction mechanisms and perform the estimation of the kinetic parameters. In many cases, a chemical process can be composed of several series and/or independent reactions that requires a complex set of kinetic equations to be solved. Computer-based tools for the study of kinetics of chemical reaction networks have been used since the last 50 years. However, the educational tools in this field should be friendly for the user and easy to learn and adapt to practical cases, avoiding long frustrating learning curves. Herein, the main objective of this contribution is to present a Matlab® application for the evaluation of Kinetics in Batch Reactors (KBR), which will help students to estimate kinetic parameters of complex chemical reaction models. The KBR application was used in the Final Degree Projects of Chemical Engineering and Environmental Engineering Degrees at Rey Juan Carlos University (Spain). This application provides a friendly Graphical User Interface to formulate any kind of kinetic model for subsequent simulation in order to monitor the evolution of reagents and products along the reaction time. Moreover, the student will be able to estimate kinetic parameters according to available experimental data as well as to apply sensitivity analysis of those parameters for particular cases of chemical reactions in batch systems. Finally, the results can be exported for further analysis as a spreadsheet of an Excel® file (.xlsx).
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