Information-Theory Applied to the Transport-Coefficients of Lennard-Jones Fluids .2

Heyes, David M. and Powles, Jack G. and Montero, J.C.G. (1993) Information-Theory Applied to the Transport-Coefficients of Lennard-Jones Fluids .2. Molecular Physics, 78 (1). pp. 229-234. ISSN 0026-8976. (The full text of this publication is not available from this repository)

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Official URL
http://dx.doi.org/10.1080/00268979300100191

Abstract

Simulations are reported for the NVE ensemble for four states of a Lennard-Jones 12-6 sp2.5 fluid. The transport coefficients, thermal conductivity and shear, longitudinal and bulk viscosity are determined together with the second, fourth and sixth moments of the spectrum of the time autocorrelation function in each case. A comparison is made with the predictions of information theory using one, two, or all three moments. The sixth moment was not used in our previous paper on this topic nor were the longitudinal and bulk viscosities reported there. A first test is made of the well known macroscopic relation between the three viscosities. For these examples, the information theory predictions are, generally, better if the sixth moment is not assumed known, contrary to expectation.

Item Type: Article
Subjects: Q Science > QD Chemistry
Q Science > QC Physics
Divisions: Faculties > Science Technology and Medical Studies > School of Physical Sciences
Depositing User: M. Nasiriavanaki
Date Deposited: 29 Jul 2009 08:50
Last Modified: 23 Jun 2014 14:40
Resource URI: http://kar.kent.ac.uk/id/eprint/22138 (The current URI for this page, for reference purposes)
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