Molecular dynamics simulation of nonodroplets with the modified Lennard-Jones potential function

被引:74
作者
Semiromi, D. Toghraie [1 ]
Azimian, A. R. [1 ]
机构
[1] Isfahan Univ Technol, Dept Mech Engn, Esfahan, Iran
关键词
CONTACT-ANGLE; FLUID; ORDER; WALL;
D O I
10.1007/s00231-010-0747-7
中图分类号
O414.1 [热力学];
学科分类号
摘要
An Argon droplet in contact with a Platinum surface was simulated by molecular dynamics method. Argon molecules were modeled with modified Lennard-Jones potential function and the Platinum surface was represented by three layers of molecules. The system temperature is fixed at saturation temperature from 72 to 108 K. An Argon droplet in contact with a Platinum surface is also simulated, at different solid-fluid combinations (epsilon sf/epsilon) at fixed sigma(sf) = 0.9 sigma) from 0.4 to 0.8, and at a temperature of 84 K. It is concluded that the contact angle decreases by increasing system temperature and increases when solid-fluid interaction energy parameter decreases. When the temperature is high enough, the contact angle drops to zero.
引用
收藏
页码:579 / 588
页数:10
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