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Shape of Long Chain Alkyl Sulfonate Micelle upon Salt Addition: a Molecular Dynamics Study
Author(s) -
Poghosyan Armen H.,
Arsenyan Levon H.,
Shahinyan Aram A.
Publication year - 2015
Publication title -
journal of surfactants and detergents
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.349
H-Index - 48
eISSN - 1558-9293
pISSN - 1097-3958
DOI - 10.1007/s11743-015-1701-y
Subject(s) - micelle , chemistry , alkyl , sulfonate , molecular dynamics , dumbbell , salt (chemistry) , critical micelle concentration , aggregation number , long chain , radius , hydrocarbon , chemical physics , sodium , organic chemistry , computational chemistry , aqueous solution , polymer science , medicine , computer security , computer science , physical therapy
Here we report a molecular dynamics simulation on the state of long chain alkyl sulfonate micelle which occurs in the presence of salt. We tracked the formation of a large micelle with a dumbbell‐like shape, which has hemispherical end caps with a large radius rather than the middle cylindrical body, where the shape bending angle was around 160 o . The data from chain analysis indicate that the micelle hydrocarbon layer is covered with disordered tails. We also report micelle fission controlled by changes in salt concentration. Overall, the parameters obtained are compared with existing experimental findings.