SGER: Computer Simulation of Electro-Osmosis in Solutions

伊利诺伊大学芝加哥分校 摘要 该项目是一个探索性的研究电渗在非离子和离子的解决方案，使用计算机模拟。 研究的主要目的是利用分子动力学和蒙特-卡罗模拟在分子水平上研究电渗。 最近开发的原子模型将在模拟中描述了广泛的膜孔径分布。 该项目可能会导致控制电渗的因素的理解。 它将解决在非离子溶液中是否发生电渗的问题。 研究结果对提高膜分离过程的分离效率具有重要意义。

CTS - 9617405 Sohail Murad University of Illinois Chicago ABSTRACT The project is an exploratory investigation of electro-osmosis in non-ionic and ionic solutions using computer simulation. The primary objective of the research is to use molecular dynamics and Monte-Carlo simulations to study electro-osmosis at the molecular level. Recently developed atomistic models will be employed in the simulation to describe a wide range of membrane pore size distribution. The project may lead to an understanding of the factors that control electro-osmosis. It will resolve the question of whether electro-osmosis occurs in non-ionic solutions. The results will be relevant to improving the separation efficiency of membrane-based processes.