Abstract—The dependence of the thermodynamic surface tension of a small droplet formed on a molecular-size condensation nucleus on the droplet size, nucleus size, molecular field parameters, and nuclear charge in the case of an ion is investigated. Calculations have been performed for molecules of supersaturated argon vapor at different values of the chemical potential of the molecules in the framework of the gradient density functional theory (DFT) and the Carnahan–Starling model to take into account the contribution of hard spheres. The interaction of argon molecules with an uncharged condensation nucleus has been described by the Lennard–Jones potential. In the case of an ion, the long-range Coulomb potential of electric forces is additionally taken into account. The dielectric constant is defined as a function of the local density of the number of argon molecules. As a variable describing the size of the droplet, the radius of the equimolecular surface of the droplet is chosen. The obtained dependences of the surface tension of the droplets have been compared with the dependence of the surface tension on the size of droplet without a condensation nucleus. When the effect of the solvation layer is discarded, the dependence of the surface tension on the radius of the equimolecular surface of a small droplet with a condensation nucleus exhibits similar behavior as in the absence of the nucleus with almost the same negative Tolman correction. The effect of the rigidity constant, however, is clearly influenced by the existence of a condensation nucleus. It is shown that when the first solvation layer is divided around the condensation nucleus, the dependence of surface tension on the radius of the equimolecular surface of a small droplet with a condensation nucleus exhibits similar behavior with almost the same negative Tolman correction as in the absence of a nucleus, but with a different correction, namely, with effective rigidity constant for the surface layer.

中文翻译：

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液滴表面张力在分子缩合核或液滴半径上形成的离子的依赖性

摘要-研究了在分子大小的缩合核上形成的小液滴的热力学表面张力对离子大小的液滴大小，核大小，分子场参数和核电荷的依赖性。在梯度密度泛函理论（DFT）和Carnahan-Starling模型的框架内，已经对分子中化学势不同的值的过饱和氩蒸气分子进行了计算，以考虑到硬球的贡献。伦纳德·琼斯势能描述了氩分子与不带电荷的缩合核之间的相互作用。在离子的情况下，还应考虑到远距离的库仑电势。介电常数定义为氩分子数目的局部密度的函数。作为描述液滴尺寸的变量，选择液滴的等分子表面的半径。已经将所获得的液滴表面张力的依赖性与表面张力对没有凝结核的液滴尺寸的依赖性进行了比较。当放弃溶剂化层的作用时，表面张力对具有凝聚核的小液滴的等分子表面的半径的依赖性表现出与不存在具有几乎相同的负托尔曼校正的原子核的情况类似的行为。但是，刚性常数的影响显然受凝结核的存在影响。