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化学进展 2015, Vol. 27 Issue (5): 482-491 DOI: 10.7536/PC141103 前一篇   后一篇

• 综述与评价 •

水和醇类分子及其混合物在纳米孔道材料中的传输扩散

许健, 樊建芬*, 闫希亮, 于怡, 张明明   

  1. 苏州大学材料与化学化工学部 苏州 215123
  • 收稿日期:2014-11-01 修回日期:2015-01-01 出版日期:2015-05-15 发布日期:2015-03-16
  • 通讯作者: 樊建芬 E-mail:jffan1305@163.com
  • 基金资助:
    国家自然科学基金项目(No. 21173154)和江苏高校优势学科建设工程项目资助
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Transport and Diffusion of Water, Alcohols and Their Mixtures Through Nano-Pore Materials

Xu Jian, Fan Jianfen*, Yan Xiliang, Yu Yi, Zhang Mingming   

  1. College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123, China
  • Received:2014-11-01 Revised:2015-01-01 Online:2015-05-15 Published:2015-03-16
  • Supported by:
    The work was supported by the National Natural Science Foundation of China(No. 21173154) and the Priority Academic Program Development of Jiangsu Higher Education Institutions.
随着计算机科学技术的飞速发展,理论计算特别是分子动力学模拟技术在研究受限流体的性质时发挥着独特的作用.本文综述了近年来水和醇类分子及其混合物在纳米孔道材料中传输扩散的研究进展,包括单组分水、甲醇和乙醇等在多种纳米孔道材料中的传输扩散,以及甲醇/水和乙醇/水等混合物在碳纳米管和沸石膜中的吸附和分离,讨论了体系温度、分子浓度以及纳米孔道材料结构等因素对水和醇类分子传输扩散过程的影响.
关键词： 水, 醇类分子, 纳米孔道材料, 传输扩散
With the rapid development of computer science, theoretical computation, especially molecular dynamic simulation plays a unique role in the investigation of confined fluids. This review surveys the progress in the study of the transport and diffusion of water, alcohols and their mixture in nano-pore materials, including the behavior of pure water, methanol and ethanol, and the absorption and separation of methanol/water, ethanol/water mixtures, etc., through carbon nanotubes and zeolites. The influences of system temperature, molecular concentration and the structural property of nano-pore materials on the transport and diffusion of water and alcohols are also summarized.

Contents
1 Introduction
2 Outline of molecular simulation
3 Transport and diffusion of pure water in nano-pore materials
3.1 Natural biological water channel
3.2 Synthetic nanoscale water channel
4 Transport and diffusion of pure alcohols in nano-pore materials
4.1 Methanol
4.2 Ethanol
4.3 Other alcohols
5 Transport and diffusion of alcohols/water mixtures in nano-pore materials
5.1 Methanol/water mixture
5.2 Ethanol/water mixture
6 Transport and diffusion of alcohol mixtures in nano-pore materials
7 Conclusion

Key words: water, alcohols, nano-pore materials, transport and diffusion

中图分类号: 

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