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Universality in the dependence of the drop contact angle on liquid-solid interactions and temperature obtained by the density functional theory

机译:液滴接触角对液-固相互作用和温度依赖性的普适性通过密度泛函理论获得

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摘要

A nonlocal density functional theory is employed to calculate the contact angles of nano- and macrodrops on smooth solid surfaces in wide ranges of temperature and parameters of the Lennard-Jones potentials representing the fluid-fluid and fluid-solid interactions. For both types of drops, simple linear dependencies of the contact angle on the fluid-solid energy parameter ∊ fs was found for various temperatures and hard core fluid-solid parameters σ fs . Expressions are suggested that relate the contact angle θ to the parameters of the interaction potentials and temperature. The most intriguing feature was that for each considered σ fs there is a value ∊ fs 0 of ∊ fs for which the contact angle θ = θ 0 becomes independent of temperature and of σ fs . It is shown that ∊ fs = ∊ fs 0 divides the materials for which θ increases from those for which θ decreases with increasing temperature.
机译:使用非局部密度泛函理论来计算纳米和宏观液滴在宽温度范围内的光滑固体表面上的接触角,以及代表流体-流体相互作用和流体-固体相互作用的Lennard-Jones势能参数。对于两种类型的液滴,在各种温度和硬核流体固相参数σ fs 下,都发现了接触角与流固能参数∊ fs 的简单线性相关性。 。提出了使接触角θ与相互作用电势和温度的参数相关的表达式。最吸引人的特征是,对于每个考虑的σ fs ,都有一个∊ fs 0 的值∊ fs 接触角θ=θ 0 变得与温度和σ fs 无关。结果表明,∊ fs = ∊ fs 0 将θ增加的材料与θ随着温度增加而减少的材料分开。

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