Non-Equilibrium Mass Exchange in AOT Reverse Micelles.
Non-Equilibrium Mass Exchange in AOT Reverse Micelles.
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AOT 反胶束中的非平衡质量交换。
DOI：
10.1021/acs.jpcb.9b08511
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发表时间：
2020
期刊：
影响因子：
--
通讯作者：
Axelsen,PaulH
中科院分区：
文献类型：
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作者：
Palmer,NicholasJ;Eskici,Gozde;Axelsen,PaulH
由水和二（2-乙基己基）磺基琥珀酸钠（AOT）在异辛烷中组成的反胶束（RM）具有非常窄的粒径分布，其平均值由系统的水负载比决定。已经提出，RM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。为了研究这些机制，我们对一个包含一个小RM和一个大RM的系统进行了24 μs的全原子分子动力学模拟。结果表明，净运动的水从小RM到大RM发生的方向，使小RM较小，大RM较大，根据水负荷比，将已适合其大小。AOT数的变化，将使每个RM的水负荷比接近整个系统的水负荷比，只发生通过RM融合和裂变的周期。这些行为很可能是由钠AOT的静电和水的介电效应驱动的。
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.