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Principal role of the stepwise aggregation mechanism in ionic surfactant solutions near the critical micelle concentration. Molecular dynamics study. / Burov, Stanislav V.; Vanin, Alexandr A.; Brodskaya, Elena N.

In: Journal of Physical Chemistry B, Vol. 113, No. 31, 06.08.2009, p. 10715-10720.

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@article{980c406f9e5640d9b1872518129b565b,
title = "Principal role of the stepwise aggregation mechanism in ionic surfactant solutions near the critical micelle concentration. Molecular dynamics study",
abstract = "The validity of the assumption on the predominant contribution of the stepwise processes to the ionic micelle formation/destruction in the vicinity of critical micelle concentration was investigated by molecular dynamics simulation. A coarse-grained model was used to describe the surfactant/water mixture. The cluster size distribution was estimated directly from molecular dynamics simulations or obtained from a reduced set of kinetic equations. The good agreement between two approaches shows that the neglect of the terms responsible for cluster fusion/fission is fully justified and that such processes are less important than stepwise aggregation.",
author = "Burov, {Stanislav V.} and Vanin, {Alexandr A.} and Brodskaya, {Elena N.}",
year = "2009",
month = aug,
day = "6",
doi = "10.1021/jp9025305",
language = "English",
volume = "113",
pages = "10715--10720",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "31",

}

RIS

TY - JOUR

T1 - Principal role of the stepwise aggregation mechanism in ionic surfactant solutions near the critical micelle concentration. Molecular dynamics study

AU - Burov, Stanislav V.

AU - Vanin, Alexandr A.

AU - Brodskaya, Elena N.

PY - 2009/8/6

Y1 - 2009/8/6

N2 - The validity of the assumption on the predominant contribution of the stepwise processes to the ionic micelle formation/destruction in the vicinity of critical micelle concentration was investigated by molecular dynamics simulation. A coarse-grained model was used to describe the surfactant/water mixture. The cluster size distribution was estimated directly from molecular dynamics simulations or obtained from a reduced set of kinetic equations. The good agreement between two approaches shows that the neglect of the terms responsible for cluster fusion/fission is fully justified and that such processes are less important than stepwise aggregation.

AB - The validity of the assumption on the predominant contribution of the stepwise processes to the ionic micelle formation/destruction in the vicinity of critical micelle concentration was investigated by molecular dynamics simulation. A coarse-grained model was used to describe the surfactant/water mixture. The cluster size distribution was estimated directly from molecular dynamics simulations or obtained from a reduced set of kinetic equations. The good agreement between two approaches shows that the neglect of the terms responsible for cluster fusion/fission is fully justified and that such processes are less important than stepwise aggregation.

UR - http://www.scopus.com/inward/record.url?scp=68149092138&partnerID=8YFLogxK

U2 - 10.1021/jp9025305

DO - 10.1021/jp9025305

M3 - Article

AN - SCOPUS:68149092138

VL - 113

SP - 10715

EP - 10720

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 31

ER -

ID: 9442352