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运用Pierotti现代溶液理论预测了苯 -甲醇 -碘化钠体系的汽液平衡盐效应参数 .硬球作用项采用Masterton_Lee方程计算 ,软球作用项的计算采用简化的径向分布函数———第一配位圈为规则排列 ,圈外为随机混合———模拟溶液结构 ,分子间力在Lennard_Jones位能函数基础上计入偶极 -偶极 ,偶极 -诱导偶极 ,电荷 -偶极 ,电荷-诱导偶极的贡献 ,针对溶剂性质在对溶液结构作出相应合理假设基础上 ,预测结果与文献基本相符 .
Using the modern solution theory of Pierotti to predict the vapor-liquid equilibrium salt effect parameters of benzene-methanol-sodium iodide system, the hard-sphere action term is calculated by Masterton-Lee equation, and the soft-sphere action term is calculated by the simplified radial distribution function --- the first The rings are regularly arranged, and the outside of the ring is a random mixture of simulated solution structures. The intermolecular force is calculated based on the Lennard_Jones potential energy function in the dipole-dipole, dipole-induced dipole, charge- dipole, charge- The contribution of induced dipole, based on the solvent properties of the solution to the structure of the corresponding reasonable assumptions based on the prediction results and the literature basically consistent.