Title: Calculation of the relaxation properties of a dilute gas consisting of Lennard-Jones chains
Authors: Hellmann, Robert 
Riesco, Nicolas
Vesovic, Velisa
Language: eng
Issue Date: 14-Jun-2013
Document Type: Article
Journal / Series / Working Paper (HSU): Chemical Physics Letters
Volume: 574
Page Start: 37
Page End: 41
Abstract: 
The relaxation properties in the dilute-gas limit have been calculated by the classical trajectory (CT) method for a gas consisting of chain-like molecules that are rigid and interact through site-site Lennard-Jones 12-6 potentials. Results are reported for volume viscosity ηV, rotational collision number ζrot and the ratio of the rotational to self-diffusion coefficient Drot/D. The results indicate that the volume viscosity increases with temperature and decreases with chain length. The rotational relaxation of chains is efficient, as it takes of the order of 1.75-2.7 collisions to attain equilibrium. The rotational collision number is only weakly temperature dependent. © 2013 Elsevier B.V. All rights reserved.
Organization Units (connected with the publication): Universität Rostock
ISSN: 00092614
Publisher DOI: 10.1016/j.cplett.2013.04.067
Appears in Collections:Publications of the HSU Researchers (before HSU)

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