Abstract
A method is reported that enables second virial coefficient properties to be used to obtain relatively simple two-body intermolecular potentials. Generic n-m Lennard-Jones/Mie potentials are transformed into two-body potentials for neon, argon, krypton, and xenon. Comparison with results from highly accurate ab initio potentials indicates good agreement. A complete potential for real fluids is obtained by combining the two-body potentials with a density-dependent term for three-body interactions. Vapor-liquid equilibria molecular simulation data for the new potentials are compared with the experiment, which demonstrates the effectiveness of the two- and three-body contributions. The combination of the two-body 10-8 Lennard-Jones/Mie potential and three-body term is a good overall choice for the noble gases.
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