High-pressure phase equilibrium in the {carbon dioxide (1)+1-chloropropane (2)} binary system

• Published in: The Journal of chemical thermodynamics 2015-12, Vol.91, p.165-171
• Main Authors: Chorążewski, Mirosław, Aim, Karel, Wichterle, Ivan, Jacquemin, Johan, Polishuk, Ilya
• Format: Article
• Language: English
• Subjects: 1-Chloropropane; Carbon dioxide; Predictive modeling; VLE
• ISSN: 0021-9614; 1096-3626
• DOI: 10.1016/j.jct.2015.07.039

•VLE of CO2+1-chloropropane was measured as function of temperature and pressure.•Predictive power of PR, SBWR and CP-PC-SAFT EoS and of COSMO-RS model was examined.•Except for COSMO-RS, the models yield satisfactory results for VLE with k12=0.•CP-PC-SAFT is an accurate estimator of density and sound velocity at high pressure. The current study reports original vapour-liquid equilibrium (VLE) for the system {CO2 (1)+1-chloropropane (2)}. The measurements have been performed over the entire pressure-composition range for the T=(303.15, 313.15 and 328.15)K isotherms. The values obtained have been used for comparison of four predictive approaches, namely the equation of state (EoS) of Peng and Robinson (PR), the Soave modification of Benedict–Webb–Rubin (SBWR) EoS, the Critical Point-based Revised Perturbed-Chain Association Fluid Theory (CP-PC-SAFT) EoS, and the Conductor-like Screening Model for Real Solvents (COSMO-RS). It has been demonstrated that the three EoS under consideration yield similar and qualitatively accurate predictions of VLE, which is not the case for the COSMO-RS model examined. Although CP-PC-SAFT EoS exhibits only minor superiority in comparison with PR and SBWR EoS in predicting VLE in the system under consideration, its relative complexity can be justified when taking into account the entire thermodynamic phase space and, in particular, considering the liquid densities and sound velocities over a wider pressure-volume-temperature range.