Abstract
|
In this work, the effect of the attractive part of the potential between fluid and wall on the properties of water confined between graphite sheets was studied, we perform molecular dynamics (MD) simulations of water with different forms of potential between fluid-wall, we study the 12-6 LJ potential and the 4?(?/r)12 repulsive part of the LJ potential with different values of ? for interaction between oxygen and carbon.
|