Mechanistic Modeling of Transesterification Reaction for Lube Oil Synthesis

The environmental impact of large deposit of lubricants from mineral oils in the environment has become worrisome over the years. Utilizing swiftly biodegradable lubricants, such as plant-derived materials and transformed vegetable oil esters, can markedly lessen environmental harm compared to conventional mineral oils. This research introduces a kinetic and mathematical framework that elucidates the chemical transesterification of palm oil-derived methyl esters (POMEs) with trimethylolpropane (TMP) into polyol esters. The kinetics of the transesterification reaction is modelled as three distinct elementary reversible series–parallel reaction mechanisms in a constant volume batch reactor. The model considers the transesterification reaction to take place in both forward and reverse directions. The derived kinetic equations were computed using the ode45 solver function in MATLAB, with rate constants determined through error minimization based on optimal statistical analysis criteria. The modelled concentration – time profile was obtained and compared with experimental data. A good correlation between simulated results and experimental data was observed, confirming that the model was able to predict the rate constants with improved accuracy. The newly developed kinetic model will aid in designing a pilot-scale chemical reactor for the transesterification of POME with (TMP) to produce polyol esters from palm oil as a viable option.