Modeling of vapor-liquid equilibrium for binary polypropylene glycol/solvent solutions using cubic equation of state models: optimization and comparison of CEoS models

Abstract

Abstract The cubic equation of state (CEoS) is a powerful method for calculation of the vapor-liquid equilibrium (VLE) in polymer solutions. Using CEoS for both the vapor and liquid phases allows one to calculate the non-ideality of polymer solutions based on a single EoS approach. In this research, VLE calculations of polypropylene glycol (polypropylene oxide) [PPG(PPO)]/solvent solutions were carried out. In this approach, eight models containing Peng-Robinson-Stryjek-Vera (PRSV) and Soave-Redlich-Kwong (SRK) CEoS separately combined with four mixing rules, namely van der Waals one-fluid mixing rule with one adjustable parameter (vdW1), van der Waals one-fluid mixing rule with two adjustable parameters (vdW2), Wong-Sandler (WS), and Zhong-Masuoka (ZM) were applied to calculations of bubble point pressure. For a better correlation, the adjustable binary interaction parameters existing in any mixing rule were optimized. The results were very acceptable and satisfactory. The results of absolute average deviations (%AAD) between computed results and experimental bubble point pressure data were calculated and presented. Although the capability of two CEoS had a good agreement with experimental data and illustrated the correct type of phase behavior in all cases, the performance of the PRSV+vdW2 was more reliable than the other models.