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Monte Carlo simulation for surface properties of two-yukawa fluids

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4 Author(s)
Liu, Jinchen ; Department of Chemical Engineering, Tsinghua University, Beijing 100084, China ; Wu, Wei ; Lu, Jiufang ; Li, Yigui

The two-Yukawa (TY) potential is a newly developed potential function for fluids. The Monte Carlo method was used to simulate the potential energy, intermolecular forces, radial distribution function, density profile, surface thickness and surface tension for a TY fluid at different temperatures. The results for a TY fluid are compared to those for a Lennard-Jone fluid, which shows that the surface properties are more sensitive to the intermolecular potential than the bulk properties and the repulsive action with a shore range can also influence the surface properties.

Published in:

Tsinghua Science and Technology  (Volume:7 ,  Issue: 5 )