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 currently available from this repository. You may be able to access a copy if URLs are provided)
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.
|Uncontrolled keywords:||Liquids ; Computerized simulation ; Temperature ; Density ; Diffusion equation ; Autocorrelation function|
|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:||https://kar.kent.ac.uk/id/eprint/19957 (The current URI for this page, for reference purposes)|