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Excess energy and equation of state of fluids with hard-core potential models from a second-order Monte Carlo perturbation theory

Abstract: Monte Carlo simulations in the NVT ensemble of the reference hard-sphere fluid have been performed to obtain the ?exact? first- and second-order terms in the inverse temperature expansion of the free energy of fluids with hard-core potentials. The results have been used to obtain parametrizations of the free energy of fluids with Sutherland potentials with variable range as well as for a fluid with a hard-core Lennard?Jones potential. The results for the excess energy and the equation of state are compared with simulation data available in the literature for these fluids.

 Autoría: Díez A., Largo J., Solana J.,

 Fuente: Fluid Phase Equilibria, 2010, 298(2), 262-269

 Editorial: Elsevier

 Año de publicación: 2010

 Nº de páginas: 8

 Tipo de publicación: Artículo de Revista

 DOI: 10.1016/j.fluid.2010.08.003

 ISSN: 0378-3812,1879-0224

 Proyecto español: FIS2009-09616

 Url de la publicación: https://doi.org/10.1016/j.fluid.2010.08.003