Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
The shape of the liquid-liquid interface for oil/water mixtures in slit pores. / Kopanichuk, Ilia V.; Berezhnaya, Anastasia S.; Sizova, Anastasia A.; Vanin, Aleksandr A.; Sizov, Vladimir V.; Brodskaya, Elena N.
в: Colloids and Surfaces A: Physicochemical and Engineering Aspects, Том 601, 124884, 20.09.2020.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - The shape of the liquid-liquid interface for oil/water mixtures in slit pores
AU - Kopanichuk, Ilia V.
AU - Berezhnaya, Anastasia S.
AU - Sizova, Anastasia A.
AU - Vanin, Aleksandr A.
AU - Sizov, Vladimir V.
AU - Brodskaya, Elena N.
N1 - Funding Information: This work was supported by the Russian Foundation for Basic Research (project No. 18-03-01238-a ). Publisher Copyright: © 2020 Elsevier B.V. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020/9/20
Y1 - 2020/9/20
N2 - A surface-area-based theoretical approach to the analysis of relative stability of various shapes of liquid-liquid interfaces observed in binary immiscible liquid systems in slit-like pores is proposed. The theoretical estimates produced by this approach are compared to the results of systematic molecular dynamics simulations for n-decane/water mixtures in pores of hydrophilic siliceous and hydrophobic carbonaceous materials. The limitations of the proposed approach and the dependence of the accuracy of theoretical predictions on system size and the composition of the liquid mixture are discussed.
AB - A surface-area-based theoretical approach to the analysis of relative stability of various shapes of liquid-liquid interfaces observed in binary immiscible liquid systems in slit-like pores is proposed. The theoretical estimates produced by this approach are compared to the results of systematic molecular dynamics simulations for n-decane/water mixtures in pores of hydrophilic siliceous and hydrophobic carbonaceous materials. The limitations of the proposed approach and the dependence of the accuracy of theoretical predictions on system size and the composition of the liquid mixture are discussed.
KW - Confinement
KW - Liquid-liquid interface
KW - Molecular dynamics
KW - Surface area
KW - INTERMOLECULAR POTENTIAL FUNCTIONS
KW - FORCE-FIELD
UR - http://www.scopus.com/inward/record.url?scp=85084946097&partnerID=8YFLogxK
U2 - 10.1016/j.colsurfa.2020.124884
DO - 10.1016/j.colsurfa.2020.124884
M3 - Article
AN - SCOPUS:85084946097
VL - 601
JO - Colloids and Surfaces A: Physicochemical and Engineering Aspects
JF - Colloids and Surfaces A: Physicochemical and Engineering Aspects
SN - 0927-7757
M1 - 124884
ER -
ID: 70757086