The Tolman length and interfacial tension of partially miscible symmetric binary Lennard–Jones (LJ) fluids (A, B) was revealed by performing a large-scale molecular dynamics (MD) simulation with a sufficient interfacial area and cutting distance. A unique phenomenon was observed in symmetric binary LJ fluids, where two surfaces of tension existed on both sides of an equimolar dividing surface. The range of interaction ε_AB between the different liquids and the temperature in which the two LJ fluids partially mixed was clarified, and the Tolman length exceeded 3 σ when ε_AB was strong at higher temperatures. The results show that as the temperature or ε_AB increases, the Tolman length increases and the interfacial tension decreases. This very long Tolman length indicates that one should be very careful when applying the concept of the liquid–liquid interface in the usual continuum approximation to nanoscale droplets and capillary phase separation in nanopores.

中文翻译：

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对称二元Lennard-Jones液体托尔曼长度和界面张力的分子动力学模拟

通过执行具有足够界面面积和切割距离的大规模分子动力学 (MD) 模拟，揭示了部分混溶对称二元伦纳德-琼斯 (LJ) 流体 (A、B) 的托尔曼长度和界面张力。在对称二元 LJ 流体中观察到一种独特的现象，其中两个张力表面存在于等摩尔分界面的两侧。澄清了不同液体之间的相互作用ε _AB范围和两种LJ流体部分混合的温度，当ε _AB在较高温度下较强时，托尔曼长度超过3 σ。结果表明，随着温度或ε _AB增加，托尔曼长度增加，界面张力降低。这个非常长的托尔曼长度表明，在将通常连续近似中的液-液界面概念应用于纳米级液滴和纳米孔中的毛细管相分离时应该非常小心。