Prediction of vapor pressure and heats of vaporization of edible oil/fat compounds by group contribution

In the present work, a group contribution method is proposed for the estimation of vapor pressures and heats of vaporization of organic liquids found in edible fat/oil and biofuel industries as a function of temperature. The regression of group contribution parameters was based on an extensive databank (2036 values) composed by fatty compounds, i.e., fatty acids, methyl-, ethyl-, propyl- and butyl-esters, fatty alcohols, tri-, di- and mono-acylglycerols and hydrocarbons. This new methodology gives improved predictions when compared to a prior group contribution equation (Ceriani and Meirelles, 2004 [1]) due to the inclusion of new experimental data for fatty esters and partial acylglycerols (besides hydrocarbons) and critical points, and a new temperature dependency. Heats of vaporization are properly described as a function of reduced temperature up to the critical condition.

► Prediction of the vapor pressure of organic compounds up to the critical point. ► Derivation of a predictive for heats of vaporization up to the critical point. ► 252 different organic compounds, including fatty compounds and hydrocarbons. ► Predictive capability compared with previous works in the literature.