Non-Equilibrium Mass Exchange in AOT Reverse Micelles.,The Journal of Physical Chemistry B

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Non-Equilibrium Mass Exchange in AOT Reverse Micelles.
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2019-12-18 , DOI: 10.1021/acs.jpcb.9b08511
Nicholas J Palmer ₁ , Gozde Eskici ₂ , Paul H Axelsen ₃

Affiliation

Reverse micelles (RMs) composed of water and sodium bis(2-ethylhexyl)sulfosuccinate (AOT) in isooctane have a remarkably narrow size distribution around a mean value determined by the water loading ratio of the system. It has been proposed that RMs establish this equilibrium size distribution either by the diffusion of individual components through the isooctane phase or by cycles of fusion and fission. To examine these mechanisms, a 24 μs all-atom molecular dynamics simulation of a system containing one small RM and one large RM was performed. Results show that the net movement of water from the small RM to the large RM occurred in a direction that made the small RM smaller and the large RM larger-according to water loading ratios that would have been appropriate for their size. Changes in AOT number that would bring the water loading ratio of each RM closer to that of the overall system only occurred via cycles of RM fusion and fission. These behaviors are most likely driven by the electrostatics of sodium AOT and the dielectric effects of water.

中文翻译：

AOT反向胶束中的非平衡质量交换。

由水和异辛烷中的双（2-乙基己基）磺基琥珀酸钠（AOT）组成的反胶束（RM）在由系统的水负载比确定的平均值附近具有非常窄的尺寸分布。已经提出，RMs通过单个组分通过异辛烷相的扩散或通过聚变和裂变的循环来建立这种平衡尺寸分布。为了检查这些机制，对包含一个小RM和一个大RM的系统进行了24μs的全原子分子动力学模拟。结果表明，水从小RM到大RM的净运动发生的方向使得小RM变小而大RM变大，这取决于适合其大小的载水率。AOT数的变化将使每个RM的载水率接近整个系统的载水率，仅通过RM融合和裂变的循环发生。这些行为很可能是由AOT钠的静电和水的介电效应驱动的。

更新日期：2019-12-19

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