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Extended many-body potential of Hauschild and Prausnitz for pure HFD-like fluids

Mohsen Abbaspour and Nasrin Naderkhovy

Physica A: Statistical Mechanics and its Applications, 2014, vol. 413, issue C, 459-472

Abstract: We have extended the many-body potential of Hauschild and Prausnitz (1993) in terms of the non-additivity coefficient and density (at different temperatures from liquid phase to supercritical region) for pure fluids. In order to compare our many-body potential with the accurate three-body potentials in the literature, we have performed molecular dynamics simulation to obtain pressure and self-diffusion coefficient values at different temperatures and densities using the two-body HFD-like potential and different three-body potentials. Our results indicated that our extended many-body potential is superior to the three-body potential of Guzman et al. (2011) for the different fluids and is also better than the three-body potential of Wang and Sadus (2006) for some noble gases.

Keywords: Many-body potential; Molecular dynamics simulation; HFD-like fluid (search for similar items in EconPapers)
Date: 2014
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:413:y:2014:i:c:p:459-472

DOI: 10.1016/j.physa.2014.07.016

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