Stability of the H<sub>2</sub>–(He, Ne, Ar) fluid mixtures

Osman, S. M.; Singh, Ranjit; Ali, I.

doi:10.1080/00268970802050402

Cited by 1 publication

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“…The variational method has been used again quite recently by Sun and co-workers. Thus, the 2Y fluid has been recently used directly to approximate the pure Lennard-Jones ͑LJ͒ fluids, [26][27][28][29][30] their mixtures, 31 and fullerenes. It means that, ultimately, they all make use, in some way, of the knowledge of the properties of the fluid of hard spheres ͑HS͒ and, as such, are not therefore directly applicable to fluids with soft repulsive interactions as, e.g., the EXP6 model.…”

Section: Introductionmentioning

confidence: 99%

EXP6 fluids at extreme conditions modeled by two-Yukawa potentials

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Melnyk

et al. 2010

The Journal of Chemical Physics

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A two-Yukawa representation of the EXP6 fluids at supercritical temperatures and high pressures has been developed and examined using molecular simulations. A uniquely defined mapping of the repulsive part of the EXP6 potential curve onto the two-Yukawa potential is used. Two ranges of temperatures, one encountered in geochemical applications (T(geo) range) and the other at conditions of detonations (T(det) range), are considered and it is shown that the local structures of both fluids are practically identical. Deviations between the EXP6 and two-Yukawa potential functions at intermediate separations lead to differences in the thermodynamic properties of the two fluids at lower temperatures of the T(geo) range; at higher temperatures and in the high T(det) temperature range both the structural and thermodynamic properties of the EXP6 and two-Yukawa fluids are practically identical.

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