Abstract：
OBJECTIVE: Hydration forces between surfactant bilayers can be assessed using water sorption isotherms of surfactants. For a quantitative description, a water sorption model that relates water activity to water content in surfactant-based systems should be proposed.
UNASSIGNED: A water sorption model for nonionic surfactant systems based on the idea on partial solvent accessibility is proposed. The model contains only two parameters: one describes the strength of interactions, the other describes the fraction of surfactant available for water. For comparison, molecular dynamics simulations of bilayers of n-octyl β-d-glucoside with different water contents are presented.
RESULTS: The model provides an excellent fit of experimental data on water sorption isotherms of two sugar surfactants. The results of the fitting are compared with molecular dynamics simulations and show a good correlation between simulations and the theory proposed. Analysis of interaction energies shows weakly endothermic hydration both in the simulations and in the sorption model, which agrees with calorimetric data on hydration. The model also shows a non-exponential decay of hydration forces with respect to the distance between bilayers; an expression for the decay length is derived.
UNASSIGNED: A water sorption model for nonionic surfactant systems based on the idea on partial solvent accessibility is proposed. The model contains only two parameters: one describes the strength of interactions, the other describes the fraction of surfactant available for water. For comparison, molecular dynamics simulations of bilayers of n-octyl β-d-glucoside with different water contents are presented.
RESULTS: The model provides an excellent fit of experimental data on water sorption isotherms of two sugar surfactants. The results of the fitting are compared with molecular dynamics simulations and show a good correlation between simulations and the theory proposed. Analysis of interaction energies shows weakly endothermic hydration both in the simulations and in the sorption model, which agrees with calorimetric data on hydration. The model also shows a non-exponential decay of hydration forces with respect to the distance between bilayers; an expression for the decay length is derived.
摘要：
目的：表面活性剂双层之间的水合力可以使用表面活性剂的吸水等温线进行评估。对于定量描述，应提出一种将水活度与基于表面活性剂的系统中的水含量相关联的水吸附模型。
UNASSIGNED：提出了一种基于关于部分溶剂可及性的思想的非离子表面活性剂体系的吸水率模型。该模型仅包含两个参数：一个描述相互作用的强度，另一个描述了可用于水的表面活性剂的分数。为了比较，提出了不同含水量的正辛基β-d-葡萄糖苷双层的分子动力学模拟。
结果：该模型对两种糖表面活性剂的水吸附等温线的实验数据提供了极好的拟合。将拟合结果与分子动力学模拟进行比较，并显示了模拟与所提出的理论之间的良好相关性。相互作用能的分析在模拟和吸附模型中都显示出弱吸热水合作用，这与水合的量热数据一致。该模型还显示了水合力相对于双层之间的距离的非指数衰减；推导了衰减长度的表达式。
UNASSIGNED：提出了一种基于关于部分溶剂可及性的思想的非离子表面活性剂体系的吸水率模型。该模型仅包含两个参数：一个描述相互作用的强度，另一个描述了可用于水的表面活性剂的分数。为了比较，提出了不同含水量的正辛基β-d-葡萄糖苷双层的分子动力学模拟。
结果：该模型对两种糖表面活性剂的水吸附等温线的实验数据提供了极好的拟合。将拟合结果与分子动力学模拟进行比较，并显示了模拟与所提出的理论之间的良好相关性。相互作用能的分析在模拟和吸附模型中都显示出弱吸热水合作用，这与水合的量热数据一致。该模型还显示了水合力相对于双层之间的距离的非指数衰减；推导了衰减长度的表达式。
