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Molecular-Thermodynamic Model of Solubilization in Direct Spherical Micelles of Nonionic Surfactants
Colloid Journal ( IF 1.1 ) Pub Date : 2021-08-16 , DOI: 10.1134/s1061933x21040128
A. K. Shchekin 1 , N. A. Volkov 1 , I. N. Koltsov 2 , N. Yu. Tretyakov 3 , S. S. Volkova 3 , E. A. Turnaeva 3
Affiliation  

Abstract

A thermodynamic model has been formulated for the formation work of a molecular aggregate consisting of molecules of a nonionic surfactant and a solubilisate in a hydrocarbon–surfactant–water solution as a function of temperature, concentrations of the surfactant and hydrocarbon in the solution, and aggregation numbers of the surfactant and hydrocarbon in the aggregate. The model depends on the structural parameters and physical characteristics of surfactant and solubilisate molecules. Predictions of the model concerning the minimum and the saddle point of the aggregation work have been considered and the distributions of relative concentrations of aggregates over the aggregation numbers of the surfactant and solubilisate have been plotted at different concentrations of surfactant and hydrocarbon monomers in the solution. The fractions of the surfactant and solubilisate in the aggregates have been numerically estimated relative to the equilibrium concentrations of surfactant and solubilisate monomers, and the average aggregation numbers of the surfactant and solubilisate in the aggregates have been found. The possibility of the colossal accumulation of solubilisate molecules in the molecular aggregates has been shown. The aggregation and solubilization have been considered at equilibrium surfactant concentrations that are markedly lower than the critical micelle concentration in a pure surfactant solution. It has been found that the limiting concentrations of the nonionic surfactant and the solubilisate corresponding to the formation of stable nanoemulsions lie in rather narrow ranges, and it is unlikely to get into them as a result of the random search in laboratory experiments.



中文翻译:

非离子表面活性剂直接球形胶束中增溶的分子热力学模型

摘要

已经为由非离子表面活性剂分子和烃 - 表面活性剂 - 水溶液中的增溶物分子组成的分子聚集体的形成工作制定了热力学模型,作为温度、溶液中表面活性剂和烃的浓度以及聚集的函数聚集体中表面活性剂和碳氢化合物的数量。该模型取决于表面活性剂和增溶物分子的结构参数和物理特性。已经考虑了关于聚集工作的最小值和鞍点的模型的预测,并且已经在溶液中不同浓度的表面活性剂和烃单体下绘制了聚集体相对浓度随表面活性剂和增溶剂聚集数的分布。聚集体中表面活性剂和增溶物的分数已经相对于表面活性剂和增溶物单体的平衡浓度进行了数值估计,并且已经发现了聚集体中表面活性剂和增溶物的平均聚集数。已经显示了在分子聚集体中溶解物分子大量积累的可能性。在平衡表面活性剂浓度显着低于纯表面活性剂溶液中的临界胶束浓度时考虑了聚集和增溶。已经发现,与稳定纳米乳液的形成相对应的非离子表面活性剂和增溶剂的极限浓度在相当窄的范围内,

更新日期:2021-08-19
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