TY - JOUR
T1 - A dielectrically consistent interaction site theory for solvent-electrolyte mixtures
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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U2 - 10.1016/0009-2614(92)85201-K
DO - 10.1016/0009-2614(92)85201-K
M3 - Article
AN - SCOPUS:33645723455
SN - 0009-2614
VL - 190
SP - 626
EP - 630
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 6
ER -