Fluid Phase Equilibria, ( ISI ), Volume (291), No (2), Year (2010-3) , Pages (117-124)

Title : ( Computation of some thermodynamic properties of helium–neon and helium–krypton fluid mixtures using molecular dynamics simulation )

Authors: M. Abbaspour , Elaheh Kafshdare Goharshadi , majid namayandeh jourabchi ,

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We have performed molecular dynamics simulations to obtain internal energy and pressure of helium–neon and helium–krypton mixtures at different densities using accurate recently two-body ab initio potentials supplemented by quantum corrections following the Feynman–Hibbs approach. The significance of this work is that the three-body expression of Wang and Sadus [22] was used to improve prediction of the pressures and internal energies of helium + krypton and helium + neon mixtures without requiring an expensive three-body calculation. Our results show a good agreement with the corresponding experimental data.

Keywords

, Potential energy function; Molecular dynamics simulation; Quantum corrections; Three, body
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@article{paperid:1014721,
author = {M. Abbaspour and Kafshdare Goharshadi, Elaheh and Namayandeh Jourabchi, Majid},
title = {Computation of some thermodynamic properties of helium–neon and helium–krypton fluid mixtures using molecular dynamics simulation},
journal = {Fluid Phase Equilibria},
year = {2010},
volume = {291},
number = {2},
month = {March},
issn = {0378-3812},
pages = {117--124},
numpages = {7},
keywords = {Potential energy function; Molecular dynamics simulation; Quantum corrections; Three-body interactions},
}

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%0 Journal Article
%T Computation of some thermodynamic properties of helium–neon and helium–krypton fluid mixtures using molecular dynamics simulation
%A M. Abbaspour
%A Kafshdare Goharshadi, Elaheh
%A Namayandeh Jourabchi, Majid
%J Fluid Phase Equilibria
%@ 0378-3812
%D 2010

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