Literature studies on interfacial tension versus temperature between normal alcohols and water show that it increases with temperature and exhibits a maximum value at a given temperature depending on the molecular weight of the alcohol. This very unusual behavior is supposedly accompanied by the formation of monolayers of alcohol molecules oriented preferentially at the interface, a structural issue not confirmed until now. We use molecular-based models for water and alcohols in combination with molecular dynamics simulations to provide physical insights, from a molecular perspective, into the structural and thermodynamic behavior at the liquid–liquid interfaces of aqueous solutions of alcohols.

中文翻译：

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醇水溶液中的择优取向和反常界面张力。

关于普通醇与水之间的界面张力与温度的关系的文献研究表明，它随温度的升高而增加，并在给定温度下呈现最大值，这取决于醇的分子量。据认为，这种非常不寻常的行为伴随着优先定向在界面处的醇分子单层的形成，这一结构问题至今尚未得到证实。我们将水和醇的基于分子的模型与分子动力学模拟结合使用，从分子角度提供对醇水溶液的液-液界面处的结构和热力学行为的物理见解。