Acta Phys. -Chim. Sin. ›› 2002, Vol. 18 ›› Issue (08): 699-704.doi: 10.3866/PKU.WHXB20020806

• ARTICLE • Previous Articles     Next Articles

A New Bridge Functional and Its Application to Density Functional Approach for Non-uniform Fluid

Zhou Shi-Qi;Zhang Xiao-Qi   

  1. Research Institute of Modern Statistical Mechanics, Zhuzhou Institute of Technology, Zhuzhou 412008
  • Received:2001-12-26 Revised:2002-03-01 Published:2002-08-15
  • Contact: Zhou Shi-Qi

Abstract: To extend the recently proposed density functional theory(DFT)methodology to non-uniform non-hard sphere fluid, a new bridge functional as a function of indirect correlation function was proposed, which was based on analysis on the asymptotic behavior of the Ornstein-Zernike equation system and the Taylor expansion series whose re-normalization resulted in an adjustable parameter determined by combining the new bridge functional with the DFT methodology to make the contact density from a single hard wall satisfy the sum rule. The combination of the new bridge functional and the DFT methodology predicted well the density distribution profile of hard sphere fluid near a hard wall or confined in a spherical cavity, Lennard-Jones fluid and adhesive hard sphere fluid confined between two hard walls when compared with the available computer simulation data.

Key words: Density functional theory, Bridge functional, Adhesive hard sphere fluid, Integral equation theory, Hard sphere fluid