Theoretical Study of the Transesterification of Triglycerides to Biodiesel Fuel under Various Conditions

Abstract

The transesterification of triglycerides under various conditions was considered in terms of the activation energy obtained from molecular orbital calculations. The transesterification reaction proceeds via a cyclic transition state, consisting of the carboxyl carbon and the alcohol. Moreover, the reaction pathway was shown by an activation energy analysis and an electrostatic potential distribution.