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摘要该项目是对使用计算机模拟的非离子和离子解决方案中电渗透的探索性研究。 该研究的主要目的是使用分子动力学和蒙特卡洛模拟来研究分子水平的电渗透。 最近开发的原子模型将在模拟中使用，以描述各种膜孔尺寸分布。 该项目可能会导致对控制电渗透的因素的理解。 它将解决一个问题，即在非离子解决方案中是否发生了电渗透。 结果将与提高基于膜过程的分离效率有关。