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

Molecular models for 267 binary mixtures validated by vapor–liquid equilibria: A systematic approach

“…They also have shown to predict reliably Joule-Thomson inversion curves for pure fluids and mixtures [245,246] covering a wide range of state points but also transport properties [247][248][249][250][251].…”

Heat capacity and Joule-Thomson coefficient of selected n -alkanes at 0.1 and 10 MPa in broad temperature ranges

“…Experimental determination of this curve is complicated because it normally occurs at very extreme conditions which can represent up to 5 times the critical temperature and 12 times the critical pressure [31,32]. There has been a literature focus on calculation of the inversion curve by means of EoSs such as cubics or Soft-SAFT EoS for n-alkanes, carbon dioxide, six different natural gas mixtures and gas condensates, among others [33][34][35][36]. Moreover the inversion curve has also been previously calculated by means of molecular simulation for carbon dioxide, methane, ethane, butane, nitrogen, argon, oxygen, ethylene, carbon monoxide, a model gas condensate mixture, six different natural gas mixtures and two natural gases, among others [21,23,24,32,34,[37][38][39][40].…”

Molecular Dynamics Simulations of Volumetric Thermophysical Properties of Natural Gases

“…Results show very accurate predictions with deviations below the 1 % limit. Vrabec et al, 2007, carried out a study on the performance of molecular simulation methods for the prediction of Joule-Thomson inversion curves for light natural gas mixtures. Reported results show deviations usually within the 5 % range, larger for high temperatures, but being competitive with most state-of-the-art EOS in predicting JouleThomson inversion curves.…”