首页> 外文期刊>Journal of Solution Chemistry >Thermodynamics of mixtures containing organic carbonates. Part XV. Application of the Kirkwood-Buff theory to the study of interactions in liquid mixtures containing dialkyl carbonates and alkanes, benzene, CCl4 or 1-alkanols
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Thermodynamics of mixtures containing organic carbonates. Part XV. Application of the Kirkwood-Buff theory to the study of interactions in liquid mixtures containing dialkyl carbonates and alkanes, benzene, CCl4 or 1-alkanols

机译:含有有机碳酸盐的混合物的热力学。第十五部分。柯克伍德-布夫理论在研究含碳酸二烷基酯和烷烃,苯,CCl4或1-烷醇的液体混合物中相互作用的应用

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Binary liquid mixtures containing a dialkyl carbonate (dimethyl or diethyl carbonate) and organic solvents such as alkanes, benzene, CCl4, or 1-alkanols were studied within the framework of the Kirkwood-Buff formalism. The Kirkwood-Buff integrals, linear coefficients of preferential solvation and local mole fractions were calculated. Results were interpreted assuming that the mixtures with alkanes or 1-alkanols are not random mixtures, which can be ascribed to the existence of strong dipolar interactions between like molecules. Systems containing benzene or CCl4 are both random and more ordered because of the charge transfer or dipole/induced dipole interactions between the polar group of the solute (O-CO-O) and the polarizable solvent molecules. The effect of increasing temperature was also examined.
机译:在Kirkwood-Buff形式论的框架内研究了含有碳酸二烷基酯(碳酸二甲酯或碳酸二乙酯)和有机溶剂(例如烷烃,苯,CCl4或1-链烷醇)的二元液体混合物。计算了Kirkwood-Buff积分,优先溶剂化的线性系数和局部摩尔分数。假定与烷烃或1-链烷醇的混合物不是随机混合物,可以解释结果,这可以归因于相似分子之间存在强偶极相互作用。包含苯或CCl4的系统既无规又有序,因为溶质的极性基团(O-CO-O)与可极化的溶剂分子之间存在电荷转移或偶极/诱导的偶极相互作用。还检查了温度升高的影响。

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