A new bridge functional and its application to density functional approach for non-uniform fluid

作者：Zhou SQ^*; Zhang XQ

来源：Acta Physico - Chimica Sinica, 2002, 18(8): 699-704.

• density functional theory
• bridge functional
• adhesive hard sphere fluid
• integral equation theory
• hard sphere fluid

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 con-elation 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.

• 出版日期2002-8