Mysona Joshua A, McCormick Alon V, Morse David C
Department of Chemical Engineering and Materials Science, University of Minnesota, 421 Washington Avenue SE, Minneapolis, Minnesota 55455, USA.
Phys Rev Lett. 2019 Jul 19;123(3):038003. doi: 10.1103/PhysRevLett.123.038003.
In micellar surfactant solutions, changes in the total number of micelles are rare events that can occur by either of two mechanisms-by stepwise association and dissociation via insertion and expulsion of individual molecules or by fission and fusion of entire micelles. Molecular dynamics simulations are used here to estimate rates of these competing mechanisms in a simple model of block copolymer micelles in homopolymer solvent. This model exhibits a crossover with increasing degree of repulsion between solvent and micelle core components, from a regime dominated by association and dissociation to a regime dominated by fission and fusion.
在胶束表面活性剂溶液中，胶束总数的变化是罕见事件，可能通过两种机制中的任何一种发生——通过单个分子的插入和排出进行逐步缔合和解离，或者通过整个胶束的裂变和融合。本文利用分子动力学模拟来估计均聚物溶剂中嵌段共聚物胶束简单模型中这些竞争机制的速率。随着溶剂与胶束核心组分之间排斥程度的增加，该模型表现出一种转变，从以缔合和解离为主的状态转变为以裂变和融合为主的状态。
