Dresden 2006 – wissenschaftliches Programm
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CPP: Chemische Physik und Polymerphysik
CPP 26: POSTER Dynamics and Diffusion
CPP 26.12: Poster
Donnerstag, 30. März 2006, 17:00–19:00, P2
Dynamic properties of strongly confined dipolar liquids — •Vladimir Froltsov1 and Sabine Klapp2 — 1Stranski-Laboratorium fuer Physikalische und Theoretische Chemie, Sekr. C7, TU Berlin, Strasse des 17. Juni 135, 10623 Berlin — 2Institut fuer Theoretische Physik, Sekr. PN 7-1, TU Berlin, Hardenbergstrasse 36, 10623 Berlin
We report molecular dynamics simulation results for a Stockmayer fluid confined to a narrow (5.0 or less particle diameters) slit pore with structureless, non-conducting walls. Translational and rotational dynamics of the dipolar particles are investigated by calculating autocorrelation functions, diffusion coefficients and relaxation times for various pore widths and directions parallel and perpendicular to the walls. The dynamical properties of the confined systems are compared to corresponding bulk properties under the condition of all compared systems having the same chemical potential. We find that the dynamic behavior inside the pore depends on the distance from the walls and can be strongly anisotropic even in globally isotropic system. Relaxation of dipole orientations and angular velocities is slower in directions parallel to the walls, especially close to the walls, and faster in perpendicular direction as compared to the bulk.