Shape of Long Chain Alkyl Sulfonate Micelle upon Salt Addition: a Molecular Dynamics Study
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 160o. 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.
KeywordsAlkyl sulfonate micelles Molecular dynamics simulation Ionic strength
The authors express gratitude to Dr. Hr. Astsatryan for technical assistance.
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