A simple analysis of thermodynamic properties for classical plasmas:II. Validation

Penfold, Robert, Jonsson, Bo and Robins, Margaret (2005) A simple analysis of thermodynamic properties for classical plasmas:II. Validation. Journal of Statistical Mechanics: Theory and Experiment. ISSN 1742-5468

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The generalized hole corrected Debye-Huckel theory (Penfold et al J. Stat. Mech. (2005) P06009) is implemented. Predictions of thermodynamic functions and simple structural properties compare favourably with results from closure of the Ornstein-Zernike integral equation in the mean spherical approximation, and with Monte Carlo simulation of the charged hard sphere primitive model. A strictly nonelectroneutral system was simulated using a conventional electrolyte program and the properties subsequently corrected for the configuration independent background terms. No convergence difficulties were encountered over the concentration range studied. With the new theory, activity coefficients of good accuracy can be obtained in a simple analytical form that is suitable for use with an approximate free energy density functional describing ion-ion correlations in screening atmospheres.

Item Type: Article
Uncontrolled Keywords: charged fluids (theory),mean spherical model,charged hard spheres,ornstein-zernike relation,pair correlation-function,debye-huckel theory,electrolyte-solutions,asymmetric electrolytes,polyelectrolyte solutions,colloidal suspensions,activity-coefficients
Faculty \ School: Faculty of Science > School of Mathematics
Faculty of Science > School of Computing Sciences
Depositing User: Pure Connector
Date Deposited: 24 Sep 2016 00:55
Last Modified: 02 Aug 2023 07:58
URI: https://ueaeprints.uea.ac.uk/id/eprint/60291
DOI: 10.1088/1742-5468/2005/06/P06010

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