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- W2315971481 abstract "A classical free energy density functional, which is isomorphic to a usual effective hard sphere model + mean field approximation for tail contribution, is proposed for treatment of real fluids in inhomogeneous states. In the framework of the classical density functional theory (DFT), the present functional is applied to two representative model fluids, namely, a Lennard-Jones fluid and a hard core attractive Yukawa fluid, subject to influence of various external fields. A comprehensive comparison with simulation results and a detailed analysis show that the present functional holds simultaneously all of the desirable properties inherent in an excellent functional, such as high accuracy, computational simplicity, consistency with a hard wall sum rule, nonrecourse to use of adjustable parameter(s) and weighted densities, reproduction of bulk second-order direct correlation function (DCF) in bulk limit, and applicability to subcritical fluid phenomena." @default.
- W2315971481 created "2016-06-24" @default.
- W2315971481 creator A5079053274 @default.
- W2315971481 date "2010-10-18" @default.
- W2315971481 modified "2023-10-16" @default.
- W2315971481 title "Free Energy Density Functional for Adsorption of Fluids in Nanopores" @default.
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- W2315971481 doi "https://doi.org/10.1021/la102341a" @default.
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