Elementary Models for Complex Fluids: Micelles and Liquid Crystals

格伦·埃文斯得到了理论和 计算化学计划，以继续他的正式理论 胶束组成的复杂流体的基本模型研究 和液晶。 他将研究静态和动态 这些复杂系统的特性。 静态行为研究将 基于Stell对Wertheim理论的修改的扩展。 的 这项工作的目标是了解胶束和细胞膜如何自我调节， 集合。 动力学研究的目的是了解胶束 当它们的稀溶液受到剪切时， 流 动力学的研究将基于一个适应的理论 软凝聚态物质的核碰撞。 结果将 与分子动力学模拟相比。 两亲分子是复杂的分子。 它们可以表现为阴离子，阳离子， 两性离子和非离子表面活性剂。 在适当的临界 浓度，它们可以自组装成胶束，如那些发现 在普通的洗涤剂中。 当生物学上重要的两亲物， 胆碱自组装形成单层，这些层构成细胞 墙 埃文斯的研究试图找到一种基于分子的理论， 阐明了两亲物的复杂性质，这将最终 帮助我们确定如何设计具有所需化学和 物理性质

Glenn Evans is supported by a grant from the Theoretical and Computational Chemistry Program to continue his formal theoretical studies of elementary models for complex fluids consisting of micelles and liquid crystals. He will study both the static and dynamic properties of these complex systems. The static behavior studies will be based on an extension of Stell's modification of Wertheim's theory. The goal of this work is to understand how micelles and cell membranes self assemble. The aim of the dynamical studies is to understand how micelles coagulate or fracture when their dilute solutions are subjected to shear flow. The dynamical studies will be based on an adaptation of the theory of nuclear collisions for soft condensed matter. Results will be compared with molecular dynamics simulations. Amphiphiles are complex molecules. They can behave as anionic, cationic, zwitterionic and nonionic surfactants. At the appropriate critical concentration, they can self assemble into micelles such as those found in common detergents. When biologically significant amphiphiles such as cholines self assemble to form monolayers, these layers constitute cell walls. Evans' research seeks to find a molecular based theory that will elucidate the complex properties of amphiphiles, and that will ultimately help us to determine how to design amphiphiles with desired chemical and physical properties.