SGER: Computer Simulation of Electro-Osmosis in Solutions

SGER：溶液中电渗透的计算机模拟

• 批准号: 9617405
• 负责人: Sohail Murad
• 金额: $ 4.5万
• 依托单位: University of Illinois at Chicago
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1996
• 资助国家: 美国
• 起止时间: 1996-09-15 至 1998-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9617405&HistoricalAwards=false
• 关键词: SGER; Computer; Simulation; Electro; Osmosis

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.

CTS - 9617405 Sohail Murad 伊利诺伊大学芝加哥分校 摘要 该项目是利用计算机模拟对非离子和离子溶液中的电渗透进行探索性研究。 该研究的主要目标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用于模拟来描述各种膜孔径分布。 该项目可能会让人们了解控制电渗透的因素。 它将解决非离子溶液中是否发生电渗透的问题。 结果将与提高膜工艺的分离效率相关。