Predicting thermophysical properties of biodiesel fuel blends using the SAFT-VR approach

Modeling of thermophysical properties and phase equilibria of long-chain methylesters mixtures are presented, using the SAFT-VR approach for mixtures. Molecules are represented as chains of spherical segments that can associate due to the presence of short-ranged attractive sites, using previous molecular parameters obtained for pure fatty acid methyl esters. These attractive sites as well as the intermolecular interactions between monomers segments are modeled via variable-ranged square-well potentials. The cross-energy binary-interaction parameter of the extended Berthelot combining rule was fitted to liquid densities and speed of sound. Very good predictions are obtained for isochoric heat capacities and for binary and ternary phase diagrams.

► Speed of sound, heat capacities and liquid densities for biodiesel fuel blends.
► Blends formed by long-chain methylesters ternary mixtures.
► SAFT-VR approach used to predict thermophysical properties.
► Best composition is determined to enhance calorific properties.