Research output: Contribution to journal › Article › peer-review
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.Research output: Contribution to journal › Article › peer-review
}
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