Distribution of ions and water molecules over the surface of the illite particle | Izvestiya vuzov. Fizika. 2022. № 4. DOI: 10.17223/00213411/65/4/20

Distribution of ions and water molecules over the surface of the illite particle

The process of diffusion of Na⁺and Cl^-ions in the pore fluid between microparticles of the mineral illite is considered.The results of quantum-chemical modeling using the Materials Studio software are presented.Due to the charge on the surface of the clay layer, a potential distribution is formed, which distorts the uniform distribution of cations and anions observed in a bulk solution. Therefore, a layer of immobile cations is formed directly near the surface of the microparticle. With increasing distance from the surface, the content of anions increases, and the potential decreases to zero.Therefore, the formation of an electric double layer occurs, in which the conditions of diffusion of cations differ.The migration rate of particles along the outer surface of a microparticle of the clay mineral illite decreases in the order: water, anion, and cation.

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Keywords

water, radial distribution function, anion, external diffusion, cation, crystallite, illite

Authors

Name	Organization	E-mail
Myshkin V.F.	National Research Tomsk Polytechnic University	gos100@tpu.ru
Wang Cailun	National Research Tomsk Polytechnic University	caylun1224@gmail.com
Khan V.A.	National Research Tomsk Polytechnic University; V. E. Zuev Institute of Atmospheric Optics of the SB RAS	nt.centre@mail.ru
Baraban A.P.	Saint-Petersburg State University	alnbaraban@yandex.ru
Poberezhnikov A.D.	National Research Tomsk Polytechnic University	andrewpad@tpu.ru
Shukshina D.D.	National Research Tomsk Polytechnic University	dds17@tpu.ru

Всего: 6

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