Simulations of hydrocarbon adsorption and subsequent water penetration on an aluminum oxide surface

de Sainte Claire, P.; Hass, K.C.; Schneider, W.F.; Hase, W.L.
May 1997
Journal of Chemical Physics;5/1/1997, Vol. 106 Issue 17, p7331
Academic Journal
Examines the static and dynamic equilibrium properties of butane octane and dodecane films adsorbed on an aluminum oxide surface at a variety of coverages and temperatures and the subsequent penetration of such films by molecule water clusters, using classical molecular dynamics. Potential energy functions; Alkane/alumina simulations.


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