Measuring the properties of liquids by counting

Powles, Jack G. and Mallett, M.J.D. and Evans, Andy (1994) Measuring the properties of liquids by counting. Proceedings of the Royal Society of London Series a-Mathematical Physical and Engineering Sciences, 446 (1928). pp. 429-439. ISSN 1364-5021. (The full text of this publication is not available from this repository)

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Official URL
http://dx.doi.org/10.1098/rspa.1994.0113

Abstract

In the computer simulation method (NVE ensemble) of determining the properties of classical liquids there are well established procedures for determining the properties of the liquid. We suggest an alternative procedure, for many properties, based on counting the passage of particles through a. notional plane in the liquid. This method is used in homogeneous liquids as an alternative way of determining: the temperature, the diffusion coefficient and the velocity autocorrelation function. In inhomogeneous systems the new procedure is used to determine the density profile. For all properties: except the velocity autocorrelation function, the method proposed is more accurate for given computational effort than the conventional one.

Item Type: Article
Uncontrolled keywords: Liquids ; Computerized simulation ; Temperature ; Density ; Diffusion equation ; Autocorrelation function
Subjects: Q Science
Divisions: Faculties > Science Technology and Medical Studies > School of Physical Sciences
Depositing User: O.O. Odanye
Date Deposited: 10 Jun 2009 08:38
Last Modified: 23 Jun 2014 14:40
Resource URI: http://kar.kent.ac.uk/id/eprint/19957 (The current URI for this page, for reference purposes)
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