Biofuels energetics: Reconciliation of calorific values of fatty acids methyl esters with help of complementary measurements and structure–property relationships

Abstract

The fatty acids methyl esters with the saturated and unsaturated alkyl chains are known as a renewable alternative fuel – biodiesel. Calorific values were measured using high-precision combustion calorimetry. Heat capacities were measured using differential scanning calorimetry. Vaporisation enthalpies were measured using thermogravimetric analysis. The thermodynamic properties of fatty acid methyl esters available in the literature were collected, combined with our own new results and validated using structure–property relationships and quantum chemical calculations. The sets of evaluated thermodynamic properties have been recommended for chemical-engineering calculations. The group additivity contributions to the prediction of vaporisation and formation enthalpies of esters relevant to biodiesel production were developed and tested.