Bridge density functional approximation for non-uniform hard core repulsive Yukawa fluid |
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Authors: | Zhou Shi-Qi |
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Institution: | School of Physics Science and Technology, Central South
University, Changsha 412008, China |
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Abstract: | In this work, a bridge density functional approximation (BDFA)
(\wx{J. Chem. Phys.} 112, 8079 (2000)) for a non-uniform hard-sphere
fluid is extended to a non-uniform hard-core repulsive Yukawa (HCRY)
fluid. It is found that the choice of a bulk bridge functional
approximation is crucial for both a uniform HCRY fluid and a
non-uniform HCRY fluid. A new bridge functional approximation is
proposed, which can accurately predict the radial distribution
function of the bulk HCRY fluid. With the new bridge functional
approximation and its associated bulk second order direct
correlation function as input, the BDFA can be used to well
calculate the density profile of the HCRY fluid subjected to the
influence of varying external fields, and the theoretical
predictions are in good agreement with the corresponding simulation
data. The calculated results indicate that the present BDFA captures
quantitatively the phenomena such as the coexistence of solid-like
high density phase and low density gas phase, and the adsorption
properties of the HCRY fluid, which qualitatively differ from those
of the fluids combining both hard-core repulsion and an attractive
tail. |
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Keywords: | bridge density functional
approximation radial distribution function colloid density
distribution |
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