화학공학소재연구정보센터
Langmuir, Vol.12, No.10, 2495-2500, 1996
Molecular-Dynamics Simulation of Benzene on Graphite .1. Phase-Behavior of an Adsorbed Monolayer
We present the results of a classical molecular dynamics simulation for a film of benzene adsorbed onto the basal plane of graphite at monolayer coverage over a range of temperatures. The phase behavior of the monolayer is examined in terms of the temperature dependence of several static and dynamic properties. The results indicate a liquid-solid transition around 140 K which compares well with the published experimental phase behavior.