Molecular dynamics simulation of the contact angle of liquids on solid surfaces.

  title={Molecular dynamics simulation of the contact angle of liquids on solid surfaces.},
  author={Bo Shi and Vijay K. Dhir},
  journal={The Journal of chemical physics},
  volume={130 3},
  • Bo ShiV. Dhir
  • Published 21 January 2009
  • Physics
  • The Journal of chemical physics
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… 

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