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Citation: Zhou Shi-Qi, Zhang Xiao-Qi. A New Bridge Functional and Its Application to Density Functional Approach for Non-uniform Fluid[J]. Acta Physico-Chimica Sinica, ;2002, 18(08): 699-704. doi: 10.3866/PKU.WHXB20020806 shu

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

1.
Research Institute of Modern Statistical Mechanics, Zhuzhou Institute of Technology, Zhuzhou　412008

Received Date: 26 December 2001
Available Online: 15 August 2002

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.
- Density functional theory;Bridge functional;Adhesive hard sphere fluid;Integral equation theory;Hard sphere fluid
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