Dresden 2009 – wissenschaftliches Programm
CPP 17.2: Vortrag
Dienstag, 24. März 2009, 09:45–10:00, ZEU 160
Lennard Jones Fluid in the Slit Pore. How Does It Nucleate? A Simulation Study. — •Nadezhda Gribova1,2, Hamed Maleki3, Axel Arnold4, Tanja Schilling3, and Christian Holm1 — 1Institute for Computational Physics, Stuttgart, Germany — 2Institute for High Pressure Physics, RAS, Troitsk, Moscow Region, Russia — 3Institute of Physics, Johannes Gutenberg-University, Mainz, Germany — 4Fraunhofer SCAI, Bonn, Germany
A study of heterogeneous nucleation has practical reasons because it occurs more often in nature then homogeneous. The existing theories describe heterogeneous nucleation mostly phenomenological and are the extensions of classical nucleation theory. When fluids are confined in the pore their properties differ significantly from the bulk. In this work we report a study of one of the simplest models that is still capable to reproduce the thermodynamic behaviour of classical fluids, the Lennard-Jones system. Confining it between the structureless walls and observing layering in the system we ask ourselves: do walls induce heterogeneous nucleation? Does it start from the layers? Is the crystallization a 3D or 2D process? The talk will summarise our current answers to the above questions.