Regensburg 2004 – scientific programme

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DY: Dynamik und Statistische Physik

DY 46: Poster

DY 46.100: Poster

Thursday, March 11, 2004, 16:00–18:00, Poster D

Orientational and positional phase transitions in geometric confined systems of alkanes - a numerical study — •Frank Oliver Pfeiffer and Heiko Rieger — Theoretische Physik, Universität des Saarlandes, 66041 Saarbrücken, Deutschland

A classical phenomenological atom-atom potential is used to study alkane chains in a single 2D hexagonal pore via the Monte Carlo method. We find different phases characterized by orientational and positional order and discuss the influence of (1) the surface structure of the pore wall and (2) the pore diameter on the correlation functions. Our calculations for the confinement are compared to the bulk scenario and to recent experiments on n-alkanes in nano-pores by Huber and Knorr.