Physical Chemistry Chemical Physics, volume 22, issue 26, pages 14756-14772
Statistical field theory of ion-molecular solutions.
Budkov Yury A.
1, 2
Publication type: Journal Article
Publication date: 2020-06-10
Journal:
Physical Chemistry Chemical Physics
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.3
ISSN: 14639076, 14639084
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
In this article, I summarize my theoretical developments in the statistical field theory of salt solutions of zwitterionic and multipolar molecules. Based on the Hubbard-Stratonovich integral transformation, I represent configuration integrals of dilute salt solutions of zwitterionic and multipolar molecules in the form of functional integrals over the space-dependent fluctuating electrostatic potential. In the mean-field approximation, for both cases, I derive integro-differential self-consistent field equations for the electrostatic potential, generated by the external charges in solutions media, which generalize the classical Poisson-Boltzmann equation. Using the obtained equations, in the linear approximation, I derive for the both cases a general expression for the electrostatic potential of a point-like test ion, expressed through certain screening functions. I derive an analytical expression for the electrostatic potential of the point-like test ion in a salt zwitterionic solution, generalizing the well known Debye-Hueckel potential. In the salt-free solution case, I obtain analytical expressions for the local dielectric permittivity around the point-like test ion and its effective solvation radius. For the case of salt solutions of multipolar molecules, I find a new oscillating behavior of the electrostatic field potential of the point-like test ion at long distances, which is caused by the nonzero quadrupole moments of the multipolar molecules. I obtain a general expression for the average quadrupolar length of a multipolar solute. Using the random phase approximation (RPA), I derive general expressions for the excess free energy of bulk salt solutions of zwitterionic and multipolar molecules and analyze the limiting regimes resulting from them. I generalize the salt zwitterionic solution theory for the case when several kinds of zwitterions are dissolved in the solution. In this case, within the RPA, I obtain a general expression for the solvation energy of the test zwitterion. Finally, I demonstrate how to take a systematic account of the excluded volume correlations between multipolar molecules in addition to their electrostatic correlations. I believe that the formulated findings could be useful for the future theoretical models of the real ion-molecular solutions, such as salt solutions of micellar aggregates, metal-organic complexes, proteins, betaines, etc.
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Citations by publishers
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Elsevier
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4 publications, 14.81%
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American Institute of Physics (AIP)
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American Institute of Physics (AIP)
2 publications, 7.41%
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1
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Budkov Y. A. Statistical field theory of ion-molecular solutions. // Physical Chemistry Chemical Physics. 2020. Vol. 22. No. 26. pp. 14756-14772.
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Budkov Y. A. Statistical field theory of ion-molecular solutions. // Physical Chemistry Chemical Physics. 2020. Vol. 22. No. 26. pp. 14756-14772.
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TY - JOUR
DO - 10.1039/d0cp02432e
UR - https://doi.org/10.1039%2Fd0cp02432e
TI - Statistical field theory of ion-molecular solutions.
T2 - Physical Chemistry Chemical Physics
AU - Budkov, Yury A.
PY - 2020
DA - 2020/06/10 00:00:00
PB - Royal Society of Chemistry (RSC)
SP - 14756-14772
IS - 26
VL - 22
SN - 1463-9076
SN - 1463-9084
ER -
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@article{2020_Budkov,
author = {Yury A. Budkov},
title = {Statistical field theory of ion-molecular solutions.},
journal = {Physical Chemistry Chemical Physics},
year = {2020},
volume = {22},
publisher = {Royal Society of Chemistry (RSC)},
month = {jun},
url = {https://doi.org/10.1039%2Fd0cp02432e},
number = {26},
pages = {14756--14772},
doi = {10.1039/d0cp02432e}
}
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Budkov, Yury A.. “Statistical field theory of ion-molecular solutions..” Physical Chemistry Chemical Physics, vol. 22, no. 26, Jun. 2020, pp. 14756-14772. https://doi.org/10.1039%2Fd0cp02432e.
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