标题： 表面活性剂载入液滴的聚并分子动力学模拟 显示英文标题

标题： Molecular dynamics simulation of the coalescence of surfactant-laden droplets

摘要： 我们通过使用几种不同的表面活性剂类型和广泛的浓度，利用通过统计关联流体理论获得的粗粒模型来研究表面活性剂载有的水滴的聚并过程。 我们的结果详细展示了在过程中许多浓度和几种表面活性剂类型下表面活性剂的普遍质量传输机制。 聚并的开始似乎由于表面活性剂的聚集而通过单个收缩发生，其残留物倾向于部分被包含在形成的桥中。 总体而言，我们确认存在一个初始的热阶段，桥的宽度保持恒定，随后是一个后期的惯性阶段，桥的宽度大致随时间的平方根增长，但没有发现中间粘性阶段的证据。 随着表面活性剂浓度的增加，聚并变得缓慢，并且我们观察到在临界浓度数倍的情况下出现了不同性质的进一步减速的证据。 我们预期我们的结果为表面活性剂载有液滴的聚并机制提供了进一步的见解。 显示英文摘要

摘要： We investigate the coalescence of surfactant-laden water droplets by using several different surfactant types and a wide range of concentrations by means of a coarse-grained model obtained by the statistical associating fluid theory. Our results demonstrate in detail a universal mass transport mechanism of surfactant across many concentrations and several surfactant types during the process. Coalescence initiation is seen to occur via a single pinch due to aggregation of surface surfactant, and its remnants tend to become engulfed in part inside the forming bridge. Across the board we confirm the existence of an initial thermal regime with constant bridge width followed by a later inertial regime with bridge width scaling roughly as the square root of time, but see no evidence of an intermediate viscous regime. Coalescence becomes slower as surfactant concentration grows, and we see evidence of the appearance of a further slowdown of a different nature for several times the critical concentration. We anticipate that our results provide further insights in the mechanisms of coalescence of surfactant-laden droplets.