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

Abstract

In this work the accuracy of the prediction of Joule–Thomson coefficients for the gases CO 2 and Ar and the binary systems CO 2–Ar and CH 4–C 2H 6 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 SF 6 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 (CH 4–C 2H 6, N 2–CH 4, CO 2–CH 4), and ternary systems (CO 2–CH 4–N 2, CH 4–C 2H 6–N 2, CO 2–CH 4–C 2H 6) 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.