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

• Antragsteller: Professor Dr. Martin Schoen
• Fachliche Zuordnung: Theoretische Physik der kondensierten Materie
• Förderung: Förderung von 2002 bis 2005
• Projektkennung: Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 5362566

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