Using the PC-SAFT model to represent the mixing properties of 81 binaries formed by a methyl alkanoate with an alkan-1-ol

PC-SAFT has been used as a fitted and predictive approaches for modeling the excess molar properties of 81 binary mixtures composed of methyl alkanoate and 1-alkanol at atmospheric pressure and 298.15 K; whose experimental and correlation data were obtained from the literature. Furthermore, we have compared the VLE obtained with PC-SAFT for 9 binary mixtures of methyl alkanoate (ethanoate to butanoate) + 1-alkanol (ethanol to 1-butanol) with experimental data published in the literature at 101.32 kPa. The binary interaction parameter, known as $k_{ij}$, was adjusted to correct for London dispersion forces, and excess molar volume and excess molar enthalpy data were used for the fitting. From the calculations, we have obtained a good qualitative agreement between PC-SAFT and literature data for most binary mixtures, which present predominant repulsive forces and an endothermic effect in the mixing process. Finally, it was found that PC-SAFT correctly predicts (without using adjustable parameters) the VLE of the 9 binary mixtures analyzed. The best agreement in the representation of the experimental data of excess molar volume was obtained for the group of mixtures of methyl ethanoate + 1-alkanol (18.11%), while in the case of excess molar enthalpy, the best results were obtained for methyl pentadecanoate + 1-alkanol (7.04%). On the other hand, PC-SAFT was able to correctly represent the experimental data of liquid–vapor equilibrium for 9 binary mixtures from a predictive and quantitative perspective and deviations in boiling point and mole fraction in vapor phase of 0.31% and 2.29% were obtained, respectively.