Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 130, Issue 3, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3055600
Keywords
contact angle; Lennard-Jones potential; liquid theory; molecular dynamics method; water
Ask authors/readers for more resources
In this work, Lennard-Jones liquid and water droplets are simulated adjacent to a solid surface using molecular dynamics. The contact angle is obtained by using direct simulation. The particle-particle particle-mesh method [B. Shi, S. Sinha, and V. K. Dhir, J. Phys. Chem. 124, 204715 (2006)] for long range force correction is used in the simulation. The contact angle is studied as a function of system temperature and the solid/fluid interaction potential. It is shown that the contact angle decreases with increasing system temperature and increases when the potential decreases. At high system temperature (pressure), the contact angle drops to zero. The predictions are compared with data from experiments and a reasonable agreement is found.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available