Research output: Contribution to journal › Article › peer-review
Ion and water molecule distribution over illite particle surface. / Myshkin, V. F. ; Cailun, Wang ; Khan, V. A. ; Барабан, Александр Петрович; Poberezhnikov, A. D.; Shukshina, D.D.
In: Russian Physics Journal, Vol. 65, No. 4, 08.2022, p. 605-609.Research output: Contribution to journal › Article › peer-review
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TY - JOUR
T1 - Ion and water molecule distribution over illite particle surface
AU - Myshkin, V. F.
AU - Cailun, Wang
AU - Khan, V. A.
AU - Барабан, Александр Петрович
AU - Poberezhnikov, A. D.
AU - Shukshina, D.D.
PY - 2022/8
Y1 - 2022/8
N2 - The paper investigates the diffusion of Na + and Cl − in a pore liquid between illite microparticles using the quantum-chemical modeling in Materials Studio. The potential distribution induced by the surface charge of the clay mineral layer, disturbs the uniform distribution of cations and anions observed in the bulk solution. As a result, a layer of immobile cations appears near the microparticle surface. As the distance from the surface grows, the anion concentration grows also, while the potential decreases down to zero. In the appeared double-electric layer, the cation diffusion conditions differ. The particle migration rate in the outer surface of the illite microparticle decreases sequentially for water, anion, cation.
AB - The paper investigates the diffusion of Na + and Cl − in a pore liquid between illite microparticles using the quantum-chemical modeling in Materials Studio. The potential distribution induced by the surface charge of the clay mineral layer, disturbs the uniform distribution of cations and anions observed in the bulk solution. As a result, a layer of immobile cations appears near the microparticle surface. As the distance from the surface grows, the anion concentration grows also, while the potential decreases down to zero. In the appeared double-electric layer, the cation diffusion conditions differ. The particle migration rate in the outer surface of the illite microparticle decreases sequentially for water, anion, cation.
KW - anion
KW - cation
KW - crystallite
KW - external diffusion
KW - illite
KW - radial distribution function
KW - water
UR - http://www.scopus.com/inward/record.url?scp=85140396766&partnerID=8YFLogxK
UR - https://www.mendeley.com/catalogue/0ea40dcf-344f-3f71-945d-4c1b8239f80c/
U2 - 10.1007/s11182-022-02675-5
DO - 10.1007/s11182-022-02675-5
M3 - Article
VL - 65
SP - 605
EP - 609
JO - Russian Physics Journal
JF - Russian Physics Journal
SN - 1064-8887
IS - 4
ER -
ID: 100245520