Email this article On the possibility of estimating the constant of dissociation of lithium salts in sulfolane by molecular dynamics method
- Authors: Yusupova A.R.1, Kuzmina E.V.1, Sheina L.V.1, Kolosnitsyn V.S.1
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Affiliations:
- Ufa Institute of Chemistry – separate structural subdivision of the Federal State Budgetary Scientific Institution Ufa Federal Research Center of RAS
- Issue: Vol 99, No 8 (2025)
- Pages: 1224-1227
- Section: ХЕМОИНФОРМАТИКА И КОМПЬЮТЕРНОЕ МОДЕЛИРОВАНИЕ
- Submitted: 06.11.2025
- Published: 15.08.2025
- URL: https://journals.rcsi.science/0044-4537/article/view/349976
- DOI: https://doi.org/10.7868/S3034553725080136
- ID: 349976
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Abstract
Electrical conductivity of lithium shafts (LiClO₄, LiCF₃SO₃, LiBF₄) 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.
About the authors
A. R. Yusupova
Ufa Institute of Chemistry – separate structural subdivision of the Federal State Budgetary Scientific Institution Ufa Federal Research Center of RAS
Email: alfia_yusupova@mail.ru
Ufa, Russia
E. V. Kuzmina
Ufa Institute of Chemistry – separate structural subdivision of the Federal State Budgetary Scientific Institution Ufa Federal Research Center of RASUfa, Russia
L. V. Sheina
Ufa Institute of Chemistry – separate structural subdivision of the Federal State Budgetary Scientific Institution Ufa Federal Research Center of RASUfa, Russia
V. S. Kolosnitsyn
Ufa Institute of Chemistry – separate structural subdivision of the Federal State Budgetary Scientific Institution Ufa Federal Research Center of RASUfa, Russia
References
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