Research output: Contribution to journal › Article › peer-review
Effect of Temperature on the Diffusion and Sorption of Cations in Clay Vermiculite. / Wang, Cailun; Myshkin, Vyacheslav Fedorovich; Khan, Valeriy Alekseevich; Poberezhnikov, Andrew Dmitrievich; Baraban, Alexander Petrovich.
In: ACS Omega, Vol. 7, No. 14, 12.04.2022, p. 11596–11605.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Effect of Temperature on the Diffusion and Sorption of Cations in Clay Vermiculite
AU - Wang, Cailun
AU - Myshkin, Vyacheslav Fedorovich
AU - Khan, Valeriy Alekseevich
AU - Poberezhnikov, Andrew Dmitrievich
AU - Baraban, Alexander Petrovich
N1 - Publisher Copyright: © 2022 The Authors. Published by American Chemical Society and Division of Chemical Education, Inc.
PY - 2022/4/12
Y1 - 2022/4/12
N2 - The MD method for modeling vermiculite containing Na+, Rb+, Cs+, Mg2+, and Ba2+ cations shows the following: With a weak swelling of clay, the temperature has no significant effect on the diffusion of water and cations through vermiculite. With a high content of water in vermiculite, the effect of temperature on the diffusion coefficient of water is greater than that of cations. We studied the structure of RDF ions in Na+-vermiculite, in which some of the cations are replaced by Rb+, Cs+, Mg2+, and Ba2+. Cations of alkali and alkaline earth metals compete with Na+ ions for adsorption sites on the surface of the clay layer. The alkaline earth metal cations are in the middle between the clay layers due to their higher charge and stronger hydration. In this case, Na+ is localized at the surface of the clay layer. Thus, cations of alkaline earth metals have little effect on the temperature dependence of the diffusion coefficient Na+.
AB - The MD method for modeling vermiculite containing Na+, Rb+, Cs+, Mg2+, and Ba2+ cations shows the following: With a weak swelling of clay, the temperature has no significant effect on the diffusion of water and cations through vermiculite. With a high content of water in vermiculite, the effect of temperature on the diffusion coefficient of water is greater than that of cations. We studied the structure of RDF ions in Na+-vermiculite, in which some of the cations are replaced by Rb+, Cs+, Mg2+, and Ba2+. Cations of alkali and alkaline earth metals compete with Na+ ions for adsorption sites on the surface of the clay layer. The alkaline earth metal cations are in the middle between the clay layers due to their higher charge and stronger hydration. In this case, Na+ is localized at the surface of the clay layer. Thus, cations of alkaline earth metals have little effect on the temperature dependence of the diffusion coefficient Na+.
UR - http://www.scopus.com/inward/record.url?scp=85127991110&partnerID=8YFLogxK
U2 - 10.1021/acsomega.1c06059
DO - 10.1021/acsomega.1c06059
M3 - Article
C2 - 35449982
AN - SCOPUS:85127991110
VL - 7
SP - 11596
EP - 11605
JO - ACS Omega
JF - ACS Omega
SN - 2470-1343
IS - 14
ER -
ID: 94575274