科研之友
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摘要
A nonperturbative density functional analysis for nonuniform Lennard-Jones (LJ) fluid is proposed in the framework of weighted density approximation. The required inputs (the second-order and first-order direct correlation functions for uniform LJ fluid) are obtained by numerically solving the OZ equation and using a equation of state for uniform Lennard-Jones fluid. The density distribution resulting from the present analysis is compared favorably with the computer simulation results for two cases: (1) a Lennard-Jones fluid confined in a spherical cavity with a hard wall, and (2) a Lennard-Jones fluid confined between two hard walls.
- 出版日期2000-11-15
