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Prediction of solubilities of salts, osmotic coefficients and vapor-liquid equilibria for single and mixed solvent electrolyte systems using the LIQUAC model

机译:使用LIQUAC模型预测单一和混合溶剂电解质系统的盐溶解度,渗透系数和气液平衡

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摘要

The electrolyte model LIQUAC has been used up till now to predict osmotic coefficients, mean ion activity coefficients, the vapor-liquid equilibrium (VLE) behavior, the solubility of gases in single and mixed solvent electrolyte systems, and solubilities of salts in aqueous solutions. In this paper, the required expressions for the calculation of salt solubilities not only in aqueous systems, but also in organic solvents and water-solvent electrolyte systems were deduced in detail based on the LIQUAC model with a fixed reference state and thermodynamic relations. Four salts (NaCl, KCl, NH4Cl and NaF) and two solvent (water and methanol) were selected to test the derived expressions. The results show that the LIQUAC model with a fixed reference state can be used to predict osmotic coefficients, solubilities of salts in aqueous solutions, vapor-liquid equilibria, and the solubilities of salts in water-organic solvent systems with strong electrolytes. (C) 2008 Elsevier B.V. All rights reserved.
机译:迄今为止,电解质模型LIQUAC一直用于预测渗透系数,平均离子活度系数,气液平衡(VLE)行为,气体在单一和混合溶剂电解质系统中的溶解度以及盐在水溶液中的溶解度。本文基于固定的参考态和热力学关系的LIQUAC模型,详细推导了不仅在水性体系中,而且在有机溶剂和水-溶剂电解质体系中盐溶解度的计算所需的表达式。选择四种盐(NaCl,KCl,NH4Cl和NaF)和两种溶剂(水和甲醇)来测试派生的表达。结果表明,具有固定参考状态的LIQUAC模型可用于预测渗透系数,盐在水溶液中的溶解度,汽液平衡以及盐在具有强电解质的水-有机溶剂系统中的溶解度。 (C)2008 Elsevier B.V.保留所有权利。

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