Molecular dynamics simulation studies on some topics of water molecules on hydrophobic surfaces

Hai-Ping FANG; Jun HU

doi:10.1016/S1001-8042(06)60015-8

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Molecular dynamics simulation studies on some topics of water molecules on hydrophobic surfaces

NUCLEAR, HEAVY ION AND ATOMIC PHYSICS | Updated：2021-01-29

- Molecular dynamics simulation studies on some topics of water molecules on hydrophobic surfaces
- Nuclear Science and Techniques Vol. 17, Issue 2, (2006)
- Affiliations：
  
  1.Shanghai Institute of Applied Physics, the Chinese Academy of Sciences, Shanghai 201800, China;
  2.Bio-X Life Sciences Research Center, College of Life Science and Technology, Shanghai Jiaotong University, Shanghai 200030, China
- Author bio：
  
  E-mail: fanghaiping@sinap.ac.cn, jhu@sjtu.edu.cn
  E-mail: fanghaiping@sinap.ac.cn, jhu@sjtu.edu.cn
- Funds：
- DOI：10.1016/S1001-8042(06)60015-8
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Hai-Ping FANG, Jun HU. Molecular dynamics simulation studies on some topics of water molecules on hydrophobic surfaces. [J]. Nuclear Science and Techniques 17(2):71-77(2006)
DOI：

Hai-Ping FANG, Jun HU. Molecular dynamics simulation studies on some topics of water molecules on hydrophobic surfaces. [J]. Nuclear Science and Techniques 17(2):71-77(2006) DOI： 10.1016/S1001-8042(06)60015-8.

摘要

Abstract

Molecular dynamics simulations have been used to study two topics of water molecules on hydrophobic surfaces. Some properties of the nanobubbles with different ingredients and behavior of single water chains in single-walled carbon nanochannels are exploited. Molecular simulations show that the density of the N,2, and H,2, are quite high, which is critical for the stability of the nanobubbles and may have potential applications, such as hydrogen storage, incorporated with recent experimental method to controllably produce hydrogen nanobubbles. The water molecules inside the nanochannel show an unexpected directed motion with long time period, which is indispensable in the future study of the dynamics of biological channels.

关键词

Keywords

Molecular dynamics simulationNanobubbleNanochannel

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Division of Interfacial Water, Shanghai Advanced Research Institute, Chinese Academy of Sciences

The People’s Hospital of China Three Gorges University

Shanghai Institute of Applied Physics, Chinese Academy of Sciences

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