Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

ABSTRACT

Vapor pressures of four pure pentaerythritol esters, PE, pentaerythritol tetrapentanoate, pentaerythritol tetraheptanoate, pentaerythritol tetranonanoate and pentaerythritol tetra 2-ethylhexanoate were measured between 334 and 476 K in a recently developed gas saturation apparatus. The experimental vapor pressure values for the four polyolesters range from 5.6 * 10-5 Pa to 0.94 Pa. These data together with density values were used to determined SAFT and PC-SAFT characteristic parameters. The linearity of molecular parameters for both models with the molecular weight permits to interpolate and extrapolate these parameters for pentaerythritol ester with linear chains. For pentaerythritol esters with ethyl-alkanoic chains, the parameters of SAFT and PC-SAFT have been estimated assuming that the slope of these straight lines is the same for PEs with linear chains that for PE with branched chains. This procedure was used to predict density of commercial POEs, estimating the molecular weight when it is not available from the viscosity at 313.15 K. PC-SAFT gives better performances than SAFT to predict density data for these four compounds at high pressures and for other PEs at atmospheric pressure. Furthermore, characteristic parameters for Soave-Redlich-Kwong and Peng Robinson EoSs were also estimated from the experimental vapor pressures and literature density values.