Результаты исследований: Материалы конференций › тезисы
Transport properties and ion binding in ionic micellar solutions by numerical methods. / Volkov, Nikolai; Tuzov, Nikolay; Kazantseva, Marina; Shchekin, Alexander.
2015. O-20 Реферат от 6th Asian Conference on Colloid and Interface Science, Sasebo, Япония.Результаты исследований: Материалы конференций › тезисы
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TY - CONF
T1 - Transport properties and ion binding in ionic micellar solutions by numerical methods
AU - Volkov, Nikolai
AU - Tuzov, Nikolay
AU - Kazantseva, Marina
AU - Shchekin, Alexander
PY - 2015
Y1 - 2015
N2 - The kinetic phenomena in micellar solutions strongly depend on diffusivities of micelles, premicellar aggregates, surfactant monomers, surface active ions, counterions, and coions [1-6]. Even using contemporary experimental equipment and techniques, it is practically impossible to distinguish between the aggregates having different aggregation numbers and, consequently, to study them separately. On the other hand, methods of molecular modeling allow one to investigate transport and structural properties of individual aggregates with arbitrary aggregation numbers in detail. In the presented study we use all-atom molecular dynamics to model the process of micellization in sodium dodecyl sulphate (SDS) aqueous solution starting from the surfactant molecules uniformly distributed in the simulation cell to the formation of small short-lived aggregates and their subsequent fusion into larger quasistable aggregates. The molecular dynamics simulation of SDS aqueous solutions, both salt-free and with added N
AB - The kinetic phenomena in micellar solutions strongly depend on diffusivities of micelles, premicellar aggregates, surfactant monomers, surface active ions, counterions, and coions [1-6]. Even using contemporary experimental equipment and techniques, it is practically impossible to distinguish between the aggregates having different aggregation numbers and, consequently, to study them separately. On the other hand, methods of molecular modeling allow one to investigate transport and structural properties of individual aggregates with arbitrary aggregation numbers in detail. In the presented study we use all-atom molecular dynamics to model the process of micellization in sodium dodecyl sulphate (SDS) aqueous solution starting from the surfactant molecules uniformly distributed in the simulation cell to the formation of small short-lived aggregates and their subsequent fusion into larger quasistable aggregates. The molecular dynamics simulation of SDS aqueous solutions, both salt-free and with added N
KW - micelle
KW - diffusion
KW - structure
M3 - Abstract
SP - O-20
T2 - 6th Asian Conference on Colloid and Interface Science
Y2 - 23 November 2015 through 26 November 2015
ER -
ID: 6943421