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