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首页> 外文期刊>The Journal of Chemical Physics >Wetting and drying transitions in mean-field theory: Describingthe surface parameters for the theory of Nakanishi and Fisherin terms of a microscopic model
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Wetting and drying transitions in mean-field theory: Describingthe surface parameters for the theory of Nakanishi and Fisherin terms of a microscopic model

机译:平均场理论中的润湿和干燥转变:用微观模型描述Nakanishi和Fisher理论的表面参数

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摘要

The theory of Nakanishi and Fisher [Phys. Rev. Lett. 49, 1565 (1982)] describes the wettingbehavior of a liquid and vapor phase in contact with a substrate in terms of the surface chemicalpotential h1and the surface enhancement parameterg.Using density functional theory, we derivemolecular expressions for h1andgand compare with earlier expressions derived from Landaulattice mean-field theory. The molecular expressions are applied to compare with results fromdensity functional theory for a square-gradient fluid in a square-well fluid-substrate potential andwith molecular dynamics simulations.
机译:中西和费舍尔的理论[Phys。牧师49,1565(1982)]从表面化学势h1和表面增强参数g的角度描述了与基质接触的液相和气相的润湿行为。利用密度泛函理论,我们推导了h1和g的分子表达式,并将其与Landaulattice的早期表达式进行了比较。平均场理论。该分子表达式被用于与在方形阱流体-基体势中的方形梯度流体的密度泛函理论的结果进行比较,并与分子动力学模拟进行比较。

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