Dynamics of self-assembled surfactant systems
Dynamics of self-assembled surfactant systems
复制标题
自组装表面活性剂体系的动力学
DOI：
10.1063/1.475604
复制
发表时间：
1998
影响因子：
4.4
通讯作者：
T. Hatton
中科院分区：
文献类型：
--
作者：
Friedrich K. von Gottberg;Kenneth A. Smith;T. Hatton
使用随机动态模拟研究了两亲分子 A2B2 模型的自组装系统动力学。进行了温度跳跃计算机“实验”，并监测系统向新平衡状态的演变。结果根据胶束动力学的 Aniansson-Wall 理论进行解释。使用 Aniansson-Wall 理论预测的瞬态行为与模拟数据非常吻合，特别是在短时间内。在很长一段时间内，观察到的偏差可能是由于估计所有重要的胶束耗尽区域中聚集体的解离速率和数量密度时的错误所致。胶束解离常数是通过独立的标记模拟计算的。在不同温度下计算了两亲物退出速率常数，发现与从胶束中去除表面活性剂链相关的活化能约为 10-15 kT，并且与摩擦系数无关。最后是亥姆霍兹...
The dynamics of self-assembling systems were investigated for the model amphiphile A2B2 using stochastic dynamic simulations. Temperature jump computer “experiments” were performed and the evolution of the system to its new equilibrium state monitored. The results were interpreted based on the Aniansson–Wall theory of micellar kinetics. The transient behavior predicted using the Aniansson–Wall theory agrees well with the simulated data, particularly at short times. At long times, deviations are observed which may be ascribed to errors in estimating the dissociation rate and number density of aggregates in the all important micelle-depleted zone. The micellar dissociation constant was calculated from independent tagging simulations. The amphiphile exit rate constant was calculated at different temperatures from which an activation energy associated with the removal of a surfactant chain from a micelle was found to be of order 10–15 kT and to be independent of the friction coefficient. Finally the Helmholtz...