2008
DOI: 10.1021/la703616c
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Dielectric Properties Tangential to the Interface in Model Insoluble Monolayers:  Theoretical Assessment

Abstract: Studies of insoluble monolayers built of phospholipids and various long-chained fatty acids or their glycerin esters are the major source for what is currently known about the relationship between monolayer composition and physicochemical properties. The surface pressure, dipole moment, dielectric permittivity, polarizability, refractivity, and other electrical and optical features are governed by the surfactant structural specificity and solvent organization at the microscopic level. To provide insight into t… Show more

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Cited by 7 publications
(13 citation statements)
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References 81 publications
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“…Equations and are the result of combining two different descriptions of the polarization and dipole moment vectors. Thus, combining their microscopic statistical mechanical description with the macroscopic continuum electrostatics one (where the dielectric tensor is defined as a proportionality constant) allows us to express the dielectric permittivity tensor in terms of the fluctuations in both vectors. , …”
Section: Methodsmentioning
confidence: 99%
“…Equations and are the result of combining two different descriptions of the polarization and dipole moment vectors. Thus, combining their microscopic statistical mechanical description with the macroscopic continuum electrostatics one (where the dielectric tensor is defined as a proportionality constant) allows us to express the dielectric permittivity tensor in terms of the fluctuations in both vectors. , …”
Section: Methodsmentioning
confidence: 99%
“…Part of this deficiency can be overcome by theoretical simulations of surfactant monolayers, which have played an important role in investigating surfactant properties at the molecular scale [8]. In recent years, many simulation studies on the self-assembly behavior of amphiphilic molecules in the solution or at the interface were performed by applying various computational techniques including quantum mechanics (QM) [9,10], Monte Carlo (MC) [11][12][13], molecular dynamics (MD) [14][15][16], and Mesodyn simulation [17][18][19], or dissipative particle dynamics (DPD) simulations [20][21][22].…”
Section: Introductionmentioning
confidence: 99%
“…Although many approaches monitored the variation of surfactant organization during monolayer compression in the p/A isotherm, experiments have rarely focused on the dynamic process of surfactants moving from the bulk solution to the interface due to the difficult experimental conditions [4]. Although a number of analytical and phenomenological models were selected to interpret isothermic data or to describe surfactant monolayers at the interface [5][6][7], there is still a lack of techniques to exclusively probe changes at the interface at a molecular level [8]. The above models and experiments do not provide comprehensive molecular-level interpretation of interactions between surfactant and solvent molecules.…”
Section: Introductionmentioning
confidence: 99%
“…Thus, Shushkov et al in ref. [76] studied the dielectrical parameters (tangential to the interface) for modeled monolayers of phospholipids and diglycerides of carboxylic acids at the vacuum/water interface depending on the area per molecule in the monolayer. They revealed a tendency to the decrease of the general tangential permittivity with the decrease of the surfactant motion freedom when compressing the monolayer.…”
Section: Molecular Mechanicsmentioning
confidence: 99%
“…The model of Bcoarse grains^is quite often used for modeling the surfactant or polymer behavior at different interfaces. This model is relatively new and popular for modeling the behavior of rather big surfactant molecules or polymers at large time-scales, when the molecule of interest is represented as a set of grains on springs containing one or several atomic groups [76].…”
Section: Molecular Mechanicsmentioning
confidence: 99%