Open AccessMolecular Dynamics Simulations for Predicting Surface Wetting
Author(s) -
Jing Chen,
Ben Hanson,
Melissa A. Pasquinelli
Publication year - 2014
Publication title -
aims materials science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.367
H-Index - 16
eISSN - 2372-0484
pISSN - 2372-0468
DOI - 10.3934/matersci.2014.2.121
Subject(s) - wetting , solid surface , molecular dynamics , wetting transition , surface (topology) , contact angle , materials science , scale (ratio) , chemical physics , field (mathematics) , nanometre , nanotechnology , statistical physics , chemistry , physics , computational chemistry , composite material , mathematics , geometry , quantum mechanics , pure mathematics
The investigation of wetting of a solid surface by a liquid provides important insights; the contact angle of a liquid droplet on a surface provides a quantitative measurement of this interaction and the degree of attraction or repulsion of that liquid type by the solid surface. Molecular dynamics (MD) simulations are a useful way to examine the behavior of liquids on solid surfaces on a nanometer scale. Thus, we surveyed the state of this field, beginning with the fundamentals of wetting calculations to an examination of the different MD methodologies used. We highlighted some of the advantages and disadvantages of the simulations, and look to the future of computer modeling to understand wetting and other liquid-solid interaction phenomena