Joule–Thomson coefficients and Joule–Thomson inversion curves for pure compounds and binary systems predicted with the group contribution equation of state VTPR

In this work the accuracy of the prediction of Joule–Thomson coefficients for the gases CO2 and Ar and the binary systems CO2–Ar and CH4–C2H6 was examined using the group contribution equation of state VTPR. Furthermore the experimental and correlated data of Joule–Thomson inversion curves of a few compounds including carbon dioxide, nitrogen, benzene, toluene, methane, ethane, ethylene, propyne, and SF6 were compared with the results of the group contribution equation of state VTPR, the Soave–Redlich–Kwong (SRK), the Peng–Robinson (PR) and the Helmholtz equation of state (HEOS). Moreover, Joule–Thomson inversion curves for pure fluids, binary (CH4–C2H6, N2–CH4, CO2–CH4), and ternary systems (CO2–CH4–N2, CH4–C2H6–N2, CO2–CH4–C2H6) were calculated with VTPR and compared to the results of SRK, PR, HEOS and the molecular simulation results of Vrabec et al. It was found that the calculated values for the Joule–Thomson coefficients and Joule–Thomson inversion curves are in good agreement with the experimental findings.

► Calculation of Joule–Thomson coefficients for pure compounds and mixtures. ► Calculation of Joule–Thomson inversion curves for pure compounds and mixtures. ► Comparison of the calculated Joule–Thomson coefficients and Joule–Thomson inversion curves of different equations of state with experimental data. ► Examination of the group contribution equation of state VTPR for further applications. ► Examination of the quality of the group contribution equation of state VTPR at high reduced temperatures.