ON THE POSSIBILITY OF ESTIMATING THE CONSTANT OF DISSOCIATION OF LITHIUM SALTS IN SULFOLANE BY MOLECULAR DYNAMICS METHOD

Yusupova, A.R.; Kuzmina, E.V.; Sheina, L.V.; Kolosnitsyn, V.S.

doi:10.7868/S3034553725080136

PII

S3034553725080136-1

DOI

10.7868/S3034553725080136

Publication type

Article

Status

Published

Authors

A.R. Yusupova

Affiliation: Ufa Institute of Chemistry — separate structural subdivision of the Federal State Budgetary Scientific Institution Ufa Federal Research Center of RAS

E.V. Kuzmina

Affiliation: Ufa Institute of Chemistry — separate structural subdivision of the Federal State Budgetary Scientific Institution Ufa Federal Research Center of RAS

L.V. Sheina

Affiliation: Ufa Institute of Chemistry — separate structural subdivision of the Federal State Budgetary Scientific Institution Ufa Federal Research Center of RAS

V.S. Kolosnitsyn

Affiliation: Ufa Institute of Chemistry — separate structural subdivision of the Federal State Budgetary Scientific Institution Ufa Federal Research Center of RAS

Volume/ Edition

Volume 99 / Issue number 8

Pages

1224-1227

Abstract

Electrical conductivity of lithium shafts (LiClO, LiCFSO, LiBF) in sulfolane solutions was studied by conductometry and molecular dynamics methods. The values of the dissociation constants of lithium salts in sulfolane solutions, the limiting molar electrical conductivities and the lithium cation transfer numbers were calculated based on the data obtained. The values of dissociation constants and limiting molar electrical conductivities calculated from calculated and measured data are in good agreement. Thus, the molecular dynamics method can be used to evaluate the physicochemical properties of electrolyte systems.

Keywords

молекулярно-динамическое моделирование константа диссоциации константа ассоциации удельная электропроводность

Date of publication

01.08.2025

Year of publication

2025

Number of purchasers

Views

References

1. Yusupova A.R., Kuzmina E.V., Kolosnitsyn V.S. // J. of Phys. Chem. B. 2022. V. 126. № 39. P. 7676.
2. Van Der Spoel D., Lindahl E., Hess B., et al. // J. of Computational Chemistry. 2005. V. 26. № 16. P. 1701.
3. Dodda L.S., De Vacca I.C., Tirado-Rives J., Jorgensen W.L. // Nucleic Acids Research. 2017. V. 45. № W1. P. W331.
4. NosÉ S. // Molecular Physics. 2002. V. 100. № 1. P. 191.
5. Seo D.M., Borodin O., Han S.-D., et al. // J. of The Electrochemical Society. 2012. V. 159. № 5. P. A553.
6. Tu K., Ishizuka R., Matubayasi N. //Spatial-Decomposition Analysis Of Electrical Conductivity in Concentrated Electrolyte Solution. 2014. V. 141. № 4. P. 1.

GOST	Kolosnitsyn V., Kuzmina E., Sheina L., Yusupova A. ON THE POSSIBILITY OF ESTIMATING THE CONSTANT OF DISSOCIATION OF LITHIUM SALTS IN SULFOLANE BY MOLECULAR DYNAMICS METHOD // Russian Journal of Physical Chemistry. – 2025. – V. 99. – Issue number 8 C. 1224-1227 . URL: https://physchemras.ru/s3034553725080136-1/?version_id=121316. DOI: 10.7868/S3034553725080136
MLA	Kolosnitsyn, V.S, Kuzmina, E.V, Sheina, L.V, Yusupova, A.R "ON THE POSSIBILITY OF ESTIMATING THE CONSTANT OF DISSOCIATION OF LITHIUM SALTS IN SULFOLANE BY MOLECULAR DYNAMICS METHOD." Russian Journal of Physical Chemistry. 99.8 (2025).:1224-1227. DOI: 10.7868/S3034553725080136
APA	Kolosnitsyn V., Kuzmina E., Sheina L., Yusupova A. (2025). ON THE POSSIBILITY OF ESTIMATING THE CONSTANT OF DISSOCIATION OF LITHIUM SALTS IN SULFOLANE BY MOLECULAR DYNAMICS METHOD. Russian Journal of Physical Chemistry. vol. 99, no. 8, pp.1224-1227 DOI: 10.7868/S3034553725080136

RAS Chemistry & Material ScienceЖурнал физической химии Russian Journal of Physical Chemistry

ON THE POSSIBILITY OF ESTIMATING THE CONSTANT OF DISSOCIATION OF LITHIUM SALTS IN SULFOLANE BY MOLECULAR DYNAMICS METHOD

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RAS Chemistry & Material ScienceЖурнал физической химии Russian Journal of Physical Chemistry

ON THE POSSIBILITY OF ESTIMATING THE CONSTANT OF DISSOCIATION OF LITHIUM SALTS IN SULFOLANE BY MOLECULAR DYNAMICS METHOD

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