NDLI: Charge separation in Coulomb liquids: mean-spherical approximation and Monte Carlo simulation

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Charge separation in Coulomb liquids: mean-spherical approximation and Monte Carlo simulation

Content Provider	Scilit
Author	Koslowski, Thorsten Beck, Uta
Copyright Year	1999
Description	Journal: Journal of Physics: Condensed Matter With reference to dense ionic liquids like the alkali metal-alkali halide melts, , we present a study of the distribution of the excess electronic charge x in Coulomb systems with electronic degrees of freedom. Within the mean-spherical approximation to the restricted primitive model of ionic liquids, we demonstrate the stability of systems that exhibit a maximum separation of cationic charges, . The results are verified and illustrated by Monte Carlo simulations. We discuss the implications of the principle of maximum charge separation for the electronic structure and the thermodynamics of dense ionic liquids, possible additional applications and its limitations due to the neglect of quantum effects.
Related Links	http://iopscience.iop.org/article/10.1088/0953-8984/11/15/008/pdf
Ending Page	3028
Page Count	10
Starting Page	3019
ISSN	09538984
e-ISSN	1361648X
DOI	10.1088/0953-8984/11/15/008
Journal	Journal of Physics: Condensed Matter
Issue Number	15
Volume Number	11
Language	English
Publisher	IOP Publishing
Publisher Date	1999-01-01
Access Restriction	Open
Subject Keyword	Journal: Journal of Physics: Condensed Matter Atomic, Molecular and Chemical Physics Monte Carlo Simulation Electronic Structure Degree of Freedom
Content Type	Text
Resource Type	Article
Subject	Condensed Matter Physics Materials Science

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