Research output: Contribution to journal › Article › peer-review
Translational Diffusion in a Set of Imidazoliunn-Based Ionic Liquids [bmim](+)A(-) and Their Mixtures with Water. / Bystrov, Sergei S.; Matveev, Vladimir V.; Egorov, Andrei V.; Chernyshev, Yurii S.; Konovalov, Vladislav A.; Balevicius, Vytautas; Chizhik, Vladimir.
In: Journal of Physical Chemistry B, Vol. 123, No. 43, 31.10.2019, p. 9187-9197.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Translational Diffusion in a Set of Imidazoliunn-Based Ionic Liquids [bmim](+)A(-) and Their Mixtures with Water
AU - Bystrov, Sergei S.
AU - Matveev, Vladimir V.
AU - Egorov, Andrei V.
AU - Chernyshev, Yurii S.
AU - Konovalov, Vladislav A.
AU - Balevicius, Vytautas
AU - Chizhik, Vladimir
PY - 2019/10/31
Y1 - 2019/10/31
N2 - As the development of the work (J. Phys. Chem. B 2019, 123 (10), 2362-2372), we have investigated the translational mobility in the same set of dried imidazoliumbased ionic liquids (ILs) [bmim]A (A = BF4-, NO3-, TfO-,I-, Br-, and Cl-) in a wide temperature range using the NMR technique. It is shown that for the [bmirn](+) cation, the temperature dependencies of product Dn do not follow the Stokes-Einstein relation for most systems studied, that is, the so-called "diffusion-viscosity decoupling" was realized. The correlation between local and translational mobility in pure IL of the [bmim] [A] type was investigated using the data on NMR relaxation rates and diffusion coefficients. The most recent hypothesis of "water pockets" in mixtures of IL with water is critically discussed. Considering the totality of data in the literature and obtained here, we propose a specific model of the microstructure which may be applied up to water concentrations of 80-90 mol % (the structure of water-rich solutions is out of our current consideration). To confirm the model, molecular dynamics simulations of "IL-water" mixtures were also carried out.
AB - As the development of the work (J. Phys. Chem. B 2019, 123 (10), 2362-2372), we have investigated the translational mobility in the same set of dried imidazoliumbased ionic liquids (ILs) [bmim]A (A = BF4-, NO3-, TfO-,I-, Br-, and Cl-) in a wide temperature range using the NMR technique. It is shown that for the [bmirn](+) cation, the temperature dependencies of product Dn do not follow the Stokes-Einstein relation for most systems studied, that is, the so-called "diffusion-viscosity decoupling" was realized. The correlation between local and translational mobility in pure IL of the [bmim] [A] type was investigated using the data on NMR relaxation rates and diffusion coefficients. The most recent hypothesis of "water pockets" in mixtures of IL with water is critically discussed. Considering the totality of data in the literature and obtained here, we propose a specific model of the microstructure which may be applied up to water concentrations of 80-90 mol % (the structure of water-rich solutions is out of our current consideration). To confirm the model, molecular dynamics simulations of "IL-water" mixtures were also carried out.
KW - NMR RELAXATION RATES
KW - MOLECULAR-DYNAMICS SIMULATIONS
KW - ALKYL CHAIN-LENGTH
KW - C-13 NMR
KW - 1-BUTYL-3-METHYLIMIDAZOLIUM TETRAFLUOROBORATE
KW - AQUEOUS-SOLUTIONS
KW - NANOSTRUCTURAL ORGANIZATION
KW - PHYSICOCHEMICAL PROPERTIES
KW - TRANSPORT-PROPERTIES
KW - MAGNETIC-RESONANCE
UR - http://www.scopus.com/inward/record.url?scp=85074262056&partnerID=8YFLogxK
UR - http://www.mendeley.com/research/translational-diffusion-set-imidazoliumbased-ionic-liquids-bmima-mixtures-water
U2 - 10.1021/acs.jpcb.9b06802
DO - 10.1021/acs.jpcb.9b06802
M3 - статья
C2 - 31591890
AN - SCOPUS:85074262056
VL - 123
SP - 9187
EP - 9197
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
SN - 1520-6106
IS - 43
ER -
ID: 48613390