Perturbation and variational approach for the equation of state for hard-sphere and Lennard–Jones fluids

doi:10.1088/1674-1056/21/4/045103

Abstract The present work uses the concept of a scaled particle along with the perturbation and variation approach, to develop an equation of state (EOS) for a mixture of hard sphere (HS), Lennard-Jones (LJ) fluids. A suitable flexible functional form for the radial distribution function G(R) is assumed for the mixture, with R as a variable. The function G(R) has an arbitrary parameter m and a different equation of state can be obtained with a suitable choice of m. For m= 0.75 and m= 0.83 results are close to molecular dynamics (MD) result for pure HS and LJ fluid respectively.

Keywords: equation of state Lennard-Jones potential hard-sphere potential liquid mixture computer simulation

Received: 25 August 2011
Revised: 31 October 2011
Accepted manuscript online:

PACS:	51.30.+i	(Thermodynamic properties, equations of state)
	05.70.Ce	(Thermodynamic functions and equations of state)

Corresponding Authors: S. B. Khasare,shailendrakhasare@yahoo.co.in
E-mail: shailendrakhasare@yahoo.co.in

Cite this article:

S. B. Khasare Perturbation and variational approach for the equation of state for hard-sphere and Lennard–Jones fluids 2012 Chin. Phys. B 21 045103

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Perturbation and variational approach for the equation of state for hard-sphere and Lennard–Jones fluids

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