Theoretical Studies of Surfactant Films and Micellized Solutions

教授格巴特是由资助的理论 和计算化学程序，以执行理论 旨在理解两亲物性质的研究。 两亲物是由疏水性的 油溶性部分和离子或极性水溶性部分 部分。 两亲物聚集形成胶束，并且它们是 也涉及脂质双层，其包括生物 膜。 格尔巴特教授的研究将集中在几个 两亲物的基本特征，包括弯曲 表面活性剂膜的弹性， 两亲性层状结构的缺陷态， 吸附单分子膜中的取向有序。 的 产生胶束单元的自组装过程 将进行研究，以确定流动的方式， 场（粘性力）影响胶束的尺寸。 当 适当的蒙特卡罗和分子动力学模拟 将被执行。

Professor Gelbart is supported by a grant from the Theoretical and Computational Chemistry Program to perform theoretical studies directed at understanding the nature of amphiphiles. Amphiphiles are molecules which consist of a hydrophobic oil-soluble portion, and an ionic or polar water soluble portion. Amphiphiles aggregate to form micelles, and they are also involved in lipid bilayers which comprise biological membranes. Professor Gelbart's research will focus on several of the fundamental features of amphiphiles including the bending elasticity of surfactant films, phase transitions between defect states of amphiphilic lamellae, and successive orientational orderings in adsorbed monolayers. The self-assembly process which gives rise to the micellar unit will be studied in an effort to determine the way in which flow fields (viscous forces) affect the size of micelles. When appropriate, Monte Carlo and molecular dynamics simulations will be performed.