Nuclear Science and Techniques

《核技术》(英文版) ISSN 1001-8042 CN 31-1559/TL     2019 Impact factor 1.556

Nuclear Science and Techniques ›› 2006, Vol. 17 ›› Issue (2): 71 doi: 10.1016/S1001-8042(06)60015-8

• NUCLEAR, HEAVY ION AND ATOMIC PHYSICS • Previous Articles     Next Articles

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

FANG Hai-Ping1,* HU Jun1,2,*   

  1. 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
FANG Hai-Ping HU Jun. Molecular dynamics simulation studies on some topics of water molecules on hydrophobic surfaces.Nuclear Science and Techniques, 2006, 17(2): 71     doi: 10.1016/S1001-8042(06)60015-8

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 N2 and H2 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.

Key words: Molecular dynamics simulation, Nanobubble, Nanochannel