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首页> 外文期刊>Environmental Science & Technology >Solubility of Hydrophobia Organic Pollutants in Binary and Multicomponent Aqueous Solvents
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Solubility of Hydrophobia Organic Pollutants in Binary and Multicomponent Aqueous Solvents

机译：疏水性有机污染物在二元和多组分水性溶剂中的溶解度

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The present paper deals with the application of fluctuation theory of solutions to the solubility of poorly soluble substances of environmental significance in aqueous mixed solvents. The fluctuation theory of ternary solutions was first used to derive an expression for the activity coefficient of a solute at infinite dilution in a binary mixed solvent. This equation contains the activity coefficients of the constituents of the solute-free mixed solvent and the molar volume of the solute-free mixed solvent. Further, the derived expression for the activity coefficient of a solute at infinite dilution was used to generate a number of expressions for the solubility of solids in aqueous mixed solvents. Several expressions for the activity coefficients of the components were considered: first, the mixed solvent was considered an ideal mixture; second, the activity coefficients of the constituents of the binary solvent were expressed using the two-suffix Margules equations; third, the activity coefficients of the constituents of the binary solvent were expressed using the Wilson equations. The obtained expressions were applied to 25 experimental data sets pertaining to the solubilities of hydrophobic organic pollutants (HOP) in aqueous mixed solvents. It was found that the suggested equations can be used for an accurate and reliable correlation of the solubilities in aqueous mixed binary solvents. The best results were obtained by combining our expression for the activity coefficient of a solute at infinite dilution in a mixed solvent with the Wilson equations for the activity coefficients of the constituents of a solute-free mixed solvent. The derived equations can also be used for predicting the solubilities of poorly soluble environmentally important compounds in aqueous mixed solvents using for the Wilson parameters those obtained from vapor-liquid equilibrium data. A similar methodology was applied to the solubility of poorly soluble substances of environmental significance in multicomponent (ternary and higher) aqueous mixed solvents. The expression for the activity coefficient of a solute in an ideal multicomponent mixed solvent was used to derive an equation for the solubility of a poorly soluble solute in an ideal multicomponent mixed solvent in terms of its solubilities in two subsystems of the multicomponent solvent and their molar volumes. Ultimately the solubility could be expressed in terms of those in binary or even in the individual constituents of the solvent and their molar volumes. The computational method was applied to predict the solubilities of naphthalene and anthracene in ternary, quaternary and quinary aqueous mixed solvents. The results were compared with experiment and good agreement was obtained.
机译：本文讨论了溶液波动理论在环境意义上难溶物质在水性混合溶剂中的溶解度中的应用。首先使用三元溶液的涨落理论来推导在二元混合溶剂中无限稀释时溶质的活度系数表达式。该方程式包含无溶质混合溶剂的成分的活度系数和无溶质混合溶剂的摩尔体积。此外，在无限稀释下所得到的溶质的活度系数的导出表达式用于生成许多固体在水性混合溶剂中的溶解度的表达式。考虑了组分的活度系数的几个表达式：首先，混合溶剂被认为是理想的混合物；其次，使用二后缀Margules方程表示二元溶剂成分的活度系数。第三，用威尔逊方程表示二元溶剂成分的活度系数。将获得的表达式应用于与疏水性有机污染物（HOP）在水性混合溶剂中的溶解度有关的25个实验数据集。已经发现，建议的方程式可用于在混合二元水性溶剂中的溶解度的准确和可靠的相关性。通过将我们在混合溶剂中无限稀释时溶质的活度系数的表达式与无溶质混合溶剂各成分的活度系数的Wilson方程相结合，可获得最佳结果。导出的方程式还可用于使用威尔逊参数预测从汽液平衡数据获得的溶解度低的环境重要化合物在水性混合溶剂中的溶解度。对具有环境重要性的难溶性物质在多组分（三元及以上）水性混合溶剂中的溶解度采用了相似的方法。根据在多组分溶剂的两个子系统中的溶解度及其摩尔数，用理想的多组分混合溶剂中的溶质的活度系数的表达式，可以得出难溶的溶质在理想的多组分混合溶剂中的溶解度的方程式。卷。最终，溶解度可用二元或什至溶剂的各个成分及其摩尔体积表示。应用该计算方法预测了萘和蒽在三元，四元和五元混合溶剂中的溶解度。将结果与实验进行比较，取得了较好的一致性。

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