A dielectrically consistent interaction site theory for solvent-electrolyte mixtures

J. S. Perkyns; B. Montgomery Pettitt

doi:10.1016/0009-2614(92)85201-K

A dielectrically consistent interaction site theory for solvent-electrolyte mixtures

J. S. Perkyns, B. Montgomery Pettitt

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198 Scopus citations

Abstract

A reformulation of reference interaction site model theory is proposed. The approach makes use of the formally correct asymptotic form of the correlations obtained from the one-center angular expansion technique. A modified closure, or equivalently, a modified propagation equation for site-site correlations is shown to incorporate the necessary information to allow dielectric consistency in finite-concentration salt solutions. Examples of the correlations and thermodynamics are given.

Original language	English (US)
Pages (from-to)	626-630
Number of pages	5
Journal	Chemical Physics Letters
Volume	190
Issue number	6
DOIs	https://doi.org/10.1016/0009-2614(92)85201-K
State	Published - Mar 20 1992
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(92)85201-K

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@article{cdf5112dce4d4bcbbd5ee81aece5e90f,

title = "A dielectrically consistent interaction site theory for solvent-electrolyte mixtures",

abstract = "A reformulation of reference interaction site model theory is proposed. The approach makes use of the formally correct asymptotic form of the correlations obtained from the one-center angular expansion technique. A modified closure, or equivalently, a modified propagation equation for site-site correlations is shown to incorporate the necessary information to allow dielectric consistency in finite-concentration salt solutions. Examples of the correlations and thermodynamics are given.",

author = "Perkyns, {J. S.} and {Montgomery Pettitt}, B.",

note = "Funding Information: The authors thank the Robert A. Welch Foundation, the N.I.H. and the Texas coordinating board for partial support of this work. BMP acknowledges the Alfred P. Sloan foundation for support. Copyright: Copyright 2014 Elsevier B.V., All rights reserved.",

year = "1992",

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doi = "10.1016/0009-2614(92)85201-K",

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AU - Perkyns, J. S.

AU - Montgomery Pettitt, B.

N1 - Funding Information: The authors thank the Robert A. Welch Foundation, the N.I.H. and the Texas coordinating board for partial support of this work. BMP acknowledges the Alfred P. Sloan foundation for support. Copyright: Copyright 2014 Elsevier B.V., All rights reserved.

PY - 1992/3/20

Y1 - 1992/3/20

N2 - A reformulation of reference interaction site model theory is proposed. The approach makes use of the formally correct asymptotic form of the correlations obtained from the one-center angular expansion technique. A modified closure, or equivalently, a modified propagation equation for site-site correlations is shown to incorporate the necessary information to allow dielectric consistency in finite-concentration salt solutions. Examples of the correlations and thermodynamics are given.

AB - A reformulation of reference interaction site model theory is proposed. The approach makes use of the formally correct asymptotic form of the correlations obtained from the one-center angular expansion technique. A modified closure, or equivalently, a modified propagation equation for site-site correlations is shown to incorporate the necessary information to allow dielectric consistency in finite-concentration salt solutions. Examples of the correlations and thermodynamics are given.

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 6

ER -

A dielectrically consistent interaction site theory for solvent-electrolyte mixtures

Abstract

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