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 -