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

• 来源期刊: 中国物理B（英文版）
• 关键词: nanobubbles and gas film hydrophobic interface molecular dynamics simulations high density
• 年，卷（期）: 2008,（7）
• 页码范围: 2646-2654
• 页数: 9页
• 语种: 英文

摘要

In this paper molecular dynamics simulations are performed to study the accumulation behaviour of N2 and H2 at water/graphite interface under ambient temperature and pressure. It finds that both N2 and H2 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 N2 and liquid H2. The present results are expected to be helpful for the understanding of the stable existence of gas film (pancake-like) and nanobubbles.