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Molecular modelling and simulation as well as four equations of state (EOS)are applied to natural gas mixtures regarding Joule-Thomson (JT) inversion. JTinversion curves are determined by molecular simulation for six differentnatural gas mixtures consisting of methane, nitrogen, carbon dioxide andethane. These components are also regarded as pure fluids, leading to a totalof ten studied systems. The results are compared to four advanced mixture EOS:DDMIX, SUPERTRAPP, BACKONE and the recent GERG-2004 Wide-Range Reference EOS.It is found that molecular simulation is competitive with state-of-the-art EOSin predicting JT inversion curves. The molecular based approaches (simulationand BACKONE) are superior to DDMIX and SUERTRAPP.

Joule-Thomson inversion curves of mixtures by molecular simulation in comparison to advanced equations of state: natural gas as an example