Molecular-dynamics simulation of wetting and drying at solid-fluid interfaces
- 6 July 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 59 (1) , 98-101
- https://doi.org/10.1103/physrevlett.59.98
Abstract
Computer simulations of a Lennard-Jones fluid adsorbed at a structured solid substrate have been carried out with the Delft Molecular Dynamics Processor, using about 11 500 particles. Realistic density profiles have been obtained. By measurement of surface tensions and contact angles, a wetting as well as a drying phase transition have been identified. The wetting transition had not previously been seen in computer simulations of continuum fluids. Both transitions are of first order.Keywords
This publication has 9 references indexed in Scilit:
- Wetting at a fluid–wall interface. Computer simulation and exact statistical sum rulesJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1986
- Wetting: statics and dynamicsReviews of Modern Physics, 1985
- Wetting, multilayer adsorption, and interface phase transitionsPhysica D: Nonlinear Phenomena, 1984
- Special purpose computers in physicsJournal of Statistical Physics, 1984
- Multicriticality of Wetting, Prewetting, and Surface TransitionsPhysical Review Letters, 1982
- Surface tension and contact angle of a liquid–solid interfaceThe Journal of Chemical Physics, 1981
- New Phase-Transition Phenomena in Thin Argon FilmsPhysical Review Letters, 1977
- Critical point wettingThe Journal of Chemical Physics, 1977
- Computer simulation of the liquid–solid–vapour contact angleJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1977