Many-body dissipative particle dynamics simulations of micellization of sodium alkyl sulfates
Rachel L. Hendrikse,
Carlos Amador,
Mark R. Wilson
Abstract:Many-body particle dynamics simulations allow us to study micelle formation, meaning that quantitative predictions can be made for the mean aggregation number and critical micelle concentration of various surfactants.
In dissipative particle dynamics, the overlap between bonded beads affects their chemical potential, which must be considered when defining parameterisations.
In dissipative particle dynamics, the overlap between bonded beads affects their chemical potential, which must be considered when defining parameterisations.
Polarisable water models are found to influence micelle formation in dissipative particle dynamics, when compared with traditional methods. The choice of water model is shown to influence counterion condensation, stability, and micelle interactions.
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