Patrykiejew A
Department for the Modelling of Physico-Chemical Processes, Faculty of Chemistry, MCS University, 20031 Lublin, Poland.
Phys Chem Chem Phys. 2018 Apr 4;20(14):9228-9240. doi: 10.1039/C7CP07942G.
This paper discusses the results of the grand canonical ensemble Monte Carlo simulation of the wetting behavior of non-additive symmetric mixtures at non-selective walls. We have focused on the mixtures that exhibit closed immiscibility loops in the bulk, and the results obtained have demonstrated that such systems show a rather complex wetting behavior. In particular, such mixtures may exhibit a complete wetting at temperatures below the bulk demixing point, and an incomplete wetting at higher temperatures. Such a situation occurs when the adsorbed film remains mixed up to the bulk coexistence. However, close to the bulk tricritical point, being the onset of the continuous demixing transition (λ-line), a second wetting transition takes place. On the other hand, in the systems in which the adsorbed films undergo the demixing transition, a complete wetting may occur below as well as at and above the bulk demixing transition temperature. It has also been demonstrated that the wetting behavior depends strongly on the strength of the surface-fluid interaction.
本文讨论了非选择性壁上非加和对称混合物润湿行为的巨正则系综蒙特卡罗模拟结果。我们关注的是在体相中呈现封闭不混溶环的混合物，所得结果表明这类系统表现出相当复杂的润湿行为。特别是，这类混合物在低于体相分离点的温度下可能呈现完全润湿，而在较高温度下呈现不完全润湿。当吸附膜在体相共存之前一直保持混合状态时，就会出现这种情况。然而，靠近体相三临界点时，即连续分离转变（λ线）的起始点，会发生第二次润湿转变。另一方面，在吸附膜发生分离转变的系统中，在体相分离转变温度以下以及该温度及以上都可能发生完全润湿。还证明了润湿行为强烈依赖于表面 - 流体相互作用的强度。
