2004
DOI: 10.1016/j.jcis.2004.01.049
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Computer simulation studies of surfactant monolayer mixtures at the water/oil interface: charge distribution effects

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Cited by 25 publications
(20 citation statements)
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“…Under these assumptions, the thickness of the SDS membrane was estimated as 10.8 nm. This value is in good agreement with the distance of 9.4 nm from the polar head to the tail end of alkyl chains for SDS monolayer [28]. These results not only prove the validity of the surfacemodifying method used in this study but also certify the adsorption characters of SDS on the CPE surface.…”
Section: Electrochemical Impedance Spectroscopy (Eis) Of Sds/cpesupporting
confidence: 87%
“…Under these assumptions, the thickness of the SDS membrane was estimated as 10.8 nm. This value is in good agreement with the distance of 9.4 nm from the polar head to the tail end of alkyl chains for SDS monolayer [28]. These results not only prove the validity of the surfacemodifying method used in this study but also certify the adsorption characters of SDS on the CPE surface.…”
Section: Electrochemical Impedance Spectroscopy (Eis) Of Sds/cpesupporting
confidence: 87%
“…The Kirkwood-Buff (KB) molecular modeling approach [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22] is fully atomistic. It utilizes Kirkwood-Buff relation between σ and diagonal components of the pressure tensor [23].…”
Section: Introductionmentioning
confidence: 99%
“…In these applications, different types of combinations, such as anionic/cationic [1,2], nonionic/anionic [3][4][5][6][7], and nonionic/cationic [8,9], are utilized to optimize a certain desired effect, in which the capabilities of a mixture are better than those attainable with the individual components separately, which is known as synergism. Since only a few techniques, such as nonlinear vibrational sum-frequency spectroscopy and second harmonic generation, are available for the investigation of liquid/liquid interfaces, the behavior of surfactants at water/oil interfaces is little investigated at the molecule level, although it is surely important; thus the synergism mechanism is still not clear.…”
Section: Introductionmentioning
confidence: 99%
“…Due to the substantial increase in computational power over the past years, computer simulations have become an important tool for studying such complex interfacial systems [6,[10][11][12][13]. These kinds of studies allow us to extract more information about dynamical and structural properties of interfacial problems on a molecular level, which are not easy to get from real experiments.…”
Section: Introductionmentioning
confidence: 99%