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Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes
Abstract
Selected physical properties of the ionic liquids might be quantitatively predicted based on the volumes of the ions these systems are composed of. It is demonstrated that the ionic volumes calculated using relatively simple theoretical quantum chemistry methods can be utilised to estimate the viscosities and electrical conductivities of various commonly used ionic liquids. The fitting formulas of the exponential form are offered and their predictive usefulness is verified. The quality of such predictions is discussed on the basis of several ionic liquids involving [Tf2 N]- and [BF4]- anions and 16 various cations. The dependence of the viscosity and electrical conductivity of the ionic liquids on the temperature is also investigated and the temperature-dependent equations are derived and compared to the experimentally measured values.
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Authors (8)
-
Dorota Wileńska mgr
- Chemii UG Katedra Chemii Teoretycznej
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Iwona Anusiewicz Prof.
- Chemii UG Katedra Chemii Teoretycznej
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Sylwia Freza dr
- Chemii UG Katedra Chemii Teoretycznej
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Edith Laux dr
- Chemii UG Katedra Chemii Teoretycznej
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Stefanie Uhl mgr
- Chemii UG Katedra Chemii Teoretycznej
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Herbert Keppner prof.
- Chemii UG Katedra Chemii Teoretycznej
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Details
- Category:
- Articles
- Type:
- artykuł w czasopiśmie wyróżnionym w JCR
- Published in:
-
MOLECULAR PHYSICS
no. 113,
pages 630 - 639,
ISSN: 0026-8976 - Language:
- English
- Publication year:
- 2015
- Bibliographic description:
- Wileńska, D., Anusiewicz, I., Freza, S., Bobrowski M., Laux E., Uhl S., Keppner H., Skurski P.: Predicting the viscosity and electrical conductivity of ionic liquids on the basis of theoretically calculated ionic volumes// MOLECULAR PHYSICS. -Vol. 113, nr. 6 (2015), s.630-639
- DOI:
- Digital Object Identifier (open in new tab) 10.1080/00268976.2014.964344
- Verified by:
- Gdańsk University of Technology
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