Mechanistic Modelling and Parameter Estimation of Heterogeneous Catalytic Synthesis of Green Fuel

Investigation of the kinetics and mechanistic modelling of biodiesel synthesis through the reaction of castor oil with methanol under catalyzed conditions was carried out in this study. The reaction mechanisms of the Eley-Rideal, Langmuir-Hinshelwood-Hougen-Watson, and Hattori type were employed to identify the rate-determining or controlling step of the reaction. Thirteen rate expressions were developed for reactant adsorption, product desorption, and surface chemical reactions. The experimental data from Sanchez-Cantu et al. were used to validate the models, and the best-fitting model and parameter estimation were evaluated using SAS and MATLAB software. From the results, the Eley-Rideal mechanism with glycerol desorption as the rate-determining step provided the most reliable description of the experimental data. The other twelve models were nullified based on statistical analysis, interpretation, and mechanistic considerations. This study enhances the understanding of biodiesel synthesis and provides a reliable model for future experiments and industrial use.