外电场作用下水化聚全氟磺酸钾膜中水分子的电渗迁移

引用本文: 朱素华, 严六明, 纪晓波, 邵长乐, 陆文聪. 外电场作用下水化聚全氟磺酸钾膜中水分子的电渗迁移[J]. 物理化学学报, 2010, 26(10): 2659-2665. doi: 10.3866/PKU.WHXB20100934 shu

Citation: ZHU Su-Hua, YAN Liu-Ming, JI Xiao-Bo, SHAO Chang-Le, LU Wen-Cong. Electroosmotic Drag of Water in Hydrated Potassium Perfluorosulfonated Polymer Membrane in External Electric Fields[J]. Acta Physico-Chimica Sinica, 2010, 26(10): 2659-2665. doi: 10.3866/PKU.WHXB20100934 shu

外电场作用下水化聚全氟磺酸钾膜中水分子的电渗迁移

基金项目:
国家自然科学基金(20873081) (20873081)

上海市科委纳米专项(0952nm01300)资助项目 (0952nm01300)

摘要:

用分子动力学模拟方法研究外电场(简称电场)作用下水化聚全氟磺酸钾膜中水分子的电渗迁移运动, 并分析探讨膜的结构与水分子的电渗迁移特性的关系. 结果表明, 无外加电场时水分子和K⁺的速度都服从麦克斯韦分布; 施加适当电场时, 水分子和K⁺在垂直电场方向上的速度分量仍服从麦克斯韦分布, 但平行电场方向上的速度分量则服从峰值漂移的麦克斯韦分布. 并且, 峰值漂移速度可作为水分子和K⁺的平均迁移速度的近似值, 从而计算得到水分子的电渗系数. 结果还显示,K⁺第一配位层内平均含有约4.04 个水分子, 它们的平均迁移速度只有K⁺的57%. 这部分水分子贡献的电渗迁移系数为总电渗迁移系数(2.97) 的77%.

关键词:

English

Electroosmotic Drag of Water in Hydrated Potassium Perfluorosulfonated Polymer Membrane in External Electric Fields

1.
1. College of Material Science and Engineering, Shanghai University, Shanghai 200444, P. R. China;
2. Department of Chemistry, College of Science, Shanghai University, Shanghai 200444, P. R. China;
3. College of Physics and Electronic Engineering, Changshu Institute of Technology, Changshu 215500, Jiangsu Province, P. R. China
Received Date: 29 April 2010
Available Online: 27 September 2010
Fund Project:
国家自然科学基金(20873081)

上海市科委纳米专项(0952nm01300)资助项目

Abstract:

The electroosmotic drag and the corresponding mechanism of water molecules in hydrated potassiumperfluorosulfonate electrolyte polymer membrane were studied using molecular dynamics simulations, and therelationship between the membrane structure and electroosmotic drag characteristics was analyzed. It is concluded thatvelocities of both H₂O and K⁺obey the Maxwell velocity distribution function without external electric field applied. Ifan appropriate electric field is applied, the velocities of H₂O and K⁺still obey the Maxwell velocity distribution in thedirection perpendicular to the electric field, and obey the peak shifted Maxwell velocity distribution in the directionparallel to the electric field. The peak shifting velocities coincide with the average transport velocities of H₂O and K⁺ induced by the applied electric field, and could be applied to evaluate the electroosmotic drag coefficient of water. Theresults also show that the average number of water molecules in the first coordination shell of K ⁺is 4.04, and theaverage transport velocity of these water molecules is about 57% of that of K ⁺. The electroosmotic drag coefficientcontributed by these water molecules is about 77% of total the electroosmotic drag coefficient(2.97) .

Key words:

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沈阳化工大学材料科学与工程学院沈阳 110142

外电场作用下水化聚全氟磺酸钾膜中水分子的电渗迁移

English

Electroosmotic Drag of Water in Hydrated Potassium Perfluorosulfonated Polymer Membrane in External Electric Fields

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

外电场作用下水化聚全氟磺酸钾膜中水分子的电渗迁移

English

Electroosmotic Drag of Water in Hydrated Potassium Perfluorosulfonated Polymer Membrane in External Electric Fields

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

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