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

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

中国物理B ›› 2012, Vol. 21 ›› Issue (4): 45103-045103.doi: 10.1088/1674-1056/21/4/045103

• PHYSICS OF GASES, PLASMAS, AND ELECTRIC DISCHARGES • 上一篇下一篇

S.B.Khasare

收稿日期:2011-08-25 修回日期:2011-10-31 出版日期:2012-02-29 发布日期:2012-02-29
通讯作者: S. B. Khasare,shailendrakhasare@yahoo.co.in E-mail:shailendrakhasare@yahoo.co.in

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

S. B. Khasare^†

Department of Physics, Science College Congress Nagar, Nagpur, India

Received:2011-08-25 Revised:2011-10-31 Online:2012-02-29 Published:2012-02-29
Contact: S. B. Khasare,shailendrakhasare@yahoo.co.in E-mail:shailendrakhasare@yahoo.co.in

摘要/Abstract

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.

Key words: equation of state, Lennard-Jones potential, hard-sphere potential, liquid mixture, computer simulation

中图分类号: (Thermodynamic properties, equations of state)

51.30.+i

05.70.Ce (Thermodynamic functions and equations of state)

S.B.Khasare. [J]. 中国物理B, 2012, 21(4): 45103-045103.

S. B. Khasare . Perturbation and variational approach for the equation of state for hard-sphere and Lennard–Jones fluids[J]. Chin. Phys. B, 2012, 21(4): 45103-045103.

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

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