期刊文献+

How to Extend the Bridge Density Functional Approximation to the Confined Non-hard Sphere Fluid

How to Extend the Bridge Density Functional Approximation to the Confined Non-hard Sphere Fluid
下载PDF
导出
摘要 A theoretical method was proposed to extend a bridge density functional approximation (BDFA) for the non-uniform hard sphere fluid to the non-uniform Lennard-Jones (LJ) fluid. The DFT approach for LJ fluid is simple, quantitatively accurate in a wide range of coexistence phase and external field parameters. Especially, the DFT approach only needs a second order direct correlation function (DCF) of the coexistence bulk fluid as input, and is therefore applicable to the subcritical temperature region. The present theoretical method can be regarded as a non-uniform counterpart of the thermodynamic perturbation theory, in which it is not at the level of the free energy but at the level of the second order DCF.the National Natural Science Foundation of China (No. 20546004) and the Natural Science Foundation of Education Department of Hunan Province (No.04C711).
作者 Shi-qi Zhou
出处 《Chinese Journal of Chemical Physics》 SCIE CAS CSCD 北大核心 2006年第4期319-324,共6页 化学物理学报(英文)
关键词 Density functional theory Bridge density functional approximation Hard sphere fluid Correlation function 密度泛函理论 桥密度泛函近似 硬球流体 相关函数
分类号 O [理学]
  • 相关文献

参考文献29

  • 1S.Zhou and E.Ruckenstein,J.Chem.Phys.112,8079 (2000)
  • 2S.Zhou,J.Chem.Phys.113,8719 (2000)
  • 3N.Choudhury and S.K.Ghosh,J.Chem.Phys.114,8530 (2001)
  • 4S.C.Kim and S.H.Suh,J.Chem.Phys.117,9880 (2002)
  • 5M.S.Kim and S.C.Kim,J.Korean Phys.Soc,41,343 (2002)
  • 6N.Choudhury and S.K.Ghosh,J.Chem.Phys.118,1327 (2003)
  • 7C.N.Patra and S.K.Ghosh,J.Chem.Phys.117,8933,8938 (2002)
  • 8S.Zhou and E.Ruckenstein,J.Chem.Phys.112,5242 (2000)
  • 9S.Zhou,J.Phys.Chem.B 105,10360 (2001).
  • 10S.Zhou,Chin.Phys.Lett.20,2107 (2003).

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部