Monte Carlo Simulationen der Benetzung nichtplanarer Festkörperoberflächen durch "einfache", klassische Fluide

By means of grand canonical ensemble Monte Carlo (GCEMC) simulations wetting of nonplanar substrate surface by a 'simple', classical fluid is investigated. The substrate is modelled as a semiinfinite solid. Following previous work both temperature and strength of the fluid-substrate interaction will be tuned such that prewetting and/or layering transitions occur in the limit of a planar substrate. The impact of substrate corrugation on these surface-induced phase transitions will be studied. In a second sequence of calculations the substrate curvature will be varied over a wider range. Following phenomenological arguments put forth by Rascón and Parry one expects a wealth of surface-induced phase transitions to occur. These conjectures are to be tested by the present molecular approach based upon GCEMC simulations.

DFG-Verfahren Schwerpunktprogramme

Teilprojekt zu SPP 1052:  Benetzung und Strukturbildung an Grenzflächen