年間 4 号発行
ISSN 印刷: 2169-2785
ISSN オンライン: 2167-857X
Indexed in
MOLECULAR DYNAMICS SIMULATION OF NANOBUBBLES ON HYDROPHOBIC SURFACES
要約
We report a molecular dynamics study of the properties of equilibrium bubbles on a smooth crystal surface (a wall) at a temperature close to that of the triple point of a Lennard-Jones fluid. It is shown that near the wall the local liquid density depends on the distance to crystal–liquid interface. We have also determined the energy parameters values of the interaction potential of the wall and liquid particles ε12 at which bubbles nucleate near the wall. It has been found that local density rarefactions which transform into bubbles appear at a distance of two or three molecular diameters from the wall surface. The evolution of the bubble from its generation till the moment it achieves the equilibrium size has been traced. The contact angles θ of equilibrium bubbles have been calculated. It is established that the dependence of θ on ε12 is close to linear. The contact angle does not depend on the radius of the three-phase contact line when ε12 is constant.
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Chen Yu-Jie, Yu Bo, Zou Yu, Chen Bing-Nan, Tao Wen-Quan, Study on the effect of foreign particle on bubble nucleation by using molecular dynamics simulation, Journal of Molecular Liquids, 305, 2020. Crossref