Effects of charge distribution on water filling process in carbon nanotube

• 作 者: LingYi Meng (1) QiKai Li (1
• 机 构: 1.BeijingNationalLaboratoryforMolecularSciencesandKeyLaboratoryofOrganicSolids,2.DepartmentofChemist
• 出 处: 中国科学：化学英文版
• 发表日期: 2009年2期
• 关键词: NANOTUBE micro/nanofluidic MOLECULAR DYNAMICS nanotube micro/nanofluidic molecul
• 基金项目: Supported by the National Natural Science Foundation of China (Grant Nos. 10425420 and 20773145),the Ministry of Science and Technology of China (Grant Nos.2006CB806200 and 2006CB932100),the Chinese A

Using umbrella sampling technique with molecular dynamics simulation,we investigated the nanoflu-idic transport of water in carbon nanotube(CNT).The simulations showed that a positive charge modi-fication to the carbon nanotube can slow down the water col