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Perturbation and variational approach for the equation of state for hard-sphere and Lennard-Jones fluids
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作者 S. B. Khasare 《Chinese Physics B》 SCIE EI CAS CSCD 2012年第4期383-395,共13页
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), Lennar-Jones (L J) fluids. A su... 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), Lennar-Jones (L J) 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. 展开更多
关键词 equation of state lennard-jones potential hard-sphere potential liquid mixture com- puter simulation
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