|Title:||Calculation of the relaxation properties of a dilute gas consisting of Lennard-Jones chains||Authors:||Hellmann, Robert
|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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