论文标题
离子液中蒸气界面的自洽描述
Self-Consistent Description of Vapor-Liquid Interface in Ionic Fluids
论文作者
论文摘要
离子相关性的不均匀性广泛存在于许多物理化学，软物质和生物系统中。在这里，我们应用了修改的高斯重新归一化波动理论来研究离子流体蒸气界面的经典示例。离子相关性分解为与局部静电环境相关的短期贡献，并构成了空间变化的离子强度和介电介电常数的远距离贡献。对于对称盐，我们理论预测的共存曲线和界面张力都与文献中报道的模拟数据进行了定量一致。此外，我们为非对称盐提供了界面结构的第一个理论预测，强调了捕获局部电荷分离的重要性。
Inhomogeneity of ion correlation widely exists in many physicochemical, soft matter, and biological systems. Here, we apply the modified Gaussian renormalized fluctuation theory to study the classic example of the vapor-liquid interface of ionic fluids. The ion correlation is decomposed into a short-range contribution associated with the local electrostatic environment and a long-range contribution accounting for the spatially varying ionic strength and dielectric permittivity. For symmetric salt, both the coexistence curve and the interfacial tension predicted by our theory are in quantitative agreement with simulation data reported in the literature. Furthermore, we provide the first theoretical prediction of interfacial structure for asymmetric salt, highlighting the importance of capturing local charge separation.
