Abstract
We report evidence observed from molecular simulations for the first-order wetting transition of water on a solid surface. Based on the empirical potentials of SPC/E for water, the 10-4-3 van der Waals model, and a recently developed induction and multipolar potential for water and graphite, we show through a series of Monte Carlo simulations that the first-order wetting transition of water on graphite occurs at , and the prewetting critical temperature lies in the range . The calculated wetting transition temperature agrees quantitatively with that predicted previously using a simple model.
- Received 23 February 2007
DOI:https://doi.org/10.1103/PhysRevB.76.041402
©2007 American Physical Society