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Mesoscopic simulation of the aggregation behavior of fluorinated surfactant in aqueous solution
Authors:Haiying Sun  Guiying Xu  Yiming Li
Affiliation:a Key Laboratory of Colloid and Interface Chemistry, Shandong University, Ministry of Education, Jinan 250100, PR China
b School of Chemical Engineering, Shandong Institute of Light Industry, Jinan 250100, PR China
Abstract:The aggregation behavior of fluorinated surfactant in aqueous solution was investigated using dissipative particle dynamics (DPD) simulation method. Simulation results show that fluorinated surfactants behave mainly as their hydrocarbon analogues, having similar sequences of phases and aggregate structures, which are capable of building micelle, hexagonal phase and lamellar phase. But fluorinated surfactants also show interesting differences from hydrocarbon analogues, which can easily form hexagonal and lamellar structures with comparative little curvature. They can also form ellipsoid or rod-like micelles even in very low concentrations instead of spheroid ones. The dynamic aggregation behavior of fluorinated surfactants, as well as the comparison with hydrogenated ones, was also investigated.
Keywords:Simulation   Dissipative particle dynamics   Aggregation behavior   Fluorinated surfactant
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