中国物理B ›› 2008, Vol. 17 ›› Issue (7): 2646-2654.doi: 10.1088/1674-1056/17/7/049

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High density gas state at water/graphite interface studied by molecular dynamics simulation

李敬源1, 李朝霞2, 方海平3, 胡钧4, 王春雷5, 修鹏6   

  1. (1)Department of Physics, Zhejiang University, Hangzhou 310027, China; (2)Shanghai Institute of Applied Physics, Chinese Academy of Sciences,Shanghai 201800, China;Graduate School of the Chinese Academy of Sciences, Beijing 100080, China; (3)Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China; (4)Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China;Bio-X Life Sciences Research Center, College of Life Science and Technology, Shanghai Jiaotong University, Shanghai 200030, China; (5)Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China;Graduate School of the Chinese Academy of Sciences, Beijing 100080, China; (6)Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China;School of Physics and Microelectronics, Shandong University, Jinan 250100, China
  • 收稿日期:2007-09-13 修回日期:2007-11-06 出版日期:2008-07-09 发布日期:2008-07-09
  • 基金资助:
    Project supported in part by National Natural Science Foundation of China (Grant Nos 10474109 and 10674146).

High density gas state at water/graphite interface studied by molecular dynamics simulation

Wang Chun-Lei(王春雷)a)b), Li Zhao-Xia(李朝霞)a)b), Li Jing-Yuan(李敬源)c), Xiu Peng(修鹏)a)d), Hu Jun(胡钧)a)e), and Fang Hai-Ping(方海平)a)†   

  1. a Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China; b Graduate School of the Chinese Academy of Sciences, Beijing 100080, China; c Department of Physics, Zhejiang University, Hangzhou 310027, China; d School of Physics and Microelectronics, Shandong University, Jinan 250100, China; e Bio-X Life Sciences Research Center, College of Life Science and Technology, Shanghai Jiaotong University, Shanghai 200030, China
  • Received:2007-09-13 Revised:2007-11-06 Online:2008-07-09 Published:2008-07-09
  • Supported by:
    Project supported in part by National Natural Science Foundation of China (Grant Nos 10474109 and 10674146).

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摘要： In this paper molecular dynamics simulations are performed to study the accumulation behaviour of N$_{2}$ and H$_{2}$ at water/graphite interface under ambient temperature and pressure. It finds that both N$_{2}$ and H$_{2}$ molecules can accumulate at the interface and form one of two states according to the ratio of gas molecules number to square of graphite surface from our simulation results: gas films (pancake-like) for a larger ratio and nanobubbles for a smaller ratio. In addition, we discuss the stabilities of nanobubbles at different environment temperatures. Surprisingly, it is found that the density of both kinds of gas states can be greatly increased, even comparable with that of the liquid N$_{2}$ and liquid H$_{2}$. The present results are expected to be helpful for the understanding of the stable existence of gas film (pancake-like) and nanobubbles.

关键词: nanobubbles and gas film, hydrophobic interface, molecular dynamics simulations, high density

Abstract: In this paper molecular dynamics simulations are performed to study the accumulation behaviour of N$_{2}$ and H$_{2}$ at water/graphite interface under ambient temperature and pressure. It finds that both N$_{2}$ and H$_{2}$ molecules can accumulate at the interface and form one of two states according to the ratio of gas molecules number to square of graphite surface from our simulation results: gas films (pancake-like) for a larger ratio and nanobubbles for a smaller ratio. In addition, we discuss the stabilities of nanobubbles at different environment temperatures. Surprisingly, it is found that the density of both kinds of gas states can be greatly increased, even comparable with that of the liquid N$_{2}$ and liquid H$_{2}$. The present results are expected to be helpful for the understanding of the stable existence of gas film (pancake-like) and nanobubbles.

Key words: nanobubbles and gas film, hydrophobic interface, molecular dynamics simulations, high density

中图分类号:  (Liquid-solid interfaces)

  • 68.08.-p
47.55.dr (Interactions with surfaces) 61.20.Ja (Computer simulation of liquid structure)