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Progress in Chemistry 2015, Vol. 27 Issue (5): 482-491 DOI: 10.7536/PC141103 Previous Articles   Next Articles

• Review and evaluation •

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: Revised: Online: Published:
  • 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.
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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

CLC Number: 

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