A simple analysis of thermodynamic properties for classical plasmas: II. Validation
(2005) In Journal of Statistical Mechanics: Theory and Experiment- Abstract
- 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... (More)
- 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. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/233417
- author
- Penfold, R ; Jönsson, Bo LU and Robins, M
- organization
- publishing date
- 2005
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- charged fluids (theory)
- in
- Journal of Statistical Mechanics: Theory and Experiment
- publisher
- IOP Publishing
- external identifiers
-
- wos:000230405800007
- scopus:22144495442
- ISSN
- 1742-5468
- DOI
- 10.1088/1742-5468/2005/06/P06010
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)
- id
- e8bc03b7-dca9-45d3-b244-3d125674db62 (old id 233417)
- date added to LUP
- 2016-04-01 15:54:18
- date last changed
- 2023-01-04 19:56:13
@article{e8bc03b7-dca9-45d3-b244-3d125674db62,
abstract = {{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.}},
author = {{Penfold, R and Jönsson, Bo and Robins, M}},
issn = {{1742-5468}},
keywords = {{charged fluids (theory)}},
language = {{eng}},
publisher = {{IOP Publishing}},
series = {{Journal of Statistical Mechanics: Theory and Experiment}},
title = {{A simple analysis of thermodynamic properties for classical plasmas: II. Validation}},
url = {{http://dx.doi.org/10.1088/1742-5468/2005/06/P06010}},
doi = {{10.1088/1742-5468/2005/06/P06010}},
year = {{2005}},
}