Molecular dynamics simulation of the aggregation behavior of N-Dodecyl-N,N-Dimethyl-3-Ammonio-1-Propanesulfonate/sodium dodecyl benzene sulfonate surfactant mixed system at oil/water interface

Autor: Jie Li, Tong Sun, Ying Han, Guangmiao Qu, Wei Ding, Xiang Gao, Jiecheng Cheng, Chunlong Xue
Rok vydání: 2017
Předmět:
Zdroj: Colloids and Surfaces A: Physicochemical and Engineering Aspects. 531:73-80
ISSN: 0927-7757
DOI: 10.1016/j.colsurfa.2017.07.088
Popis: Molecular dynamics simulation method was used to study the aggregation behavior of the surfactant mixed system of N-Dodecyl-N, N-Dimethyl-3-Ammonio-1-Propanesulfonate(SB12-3)/Sodium Dodecyl Benzene Sulfonate(SDBS) at oil/water interface and the interaction between SB12-3 and SDBS. Radial distribution function (RDF) was used to investigate hydrophilic effects of SB12-3 and SDBS. Angles between the head groups and tail chains of surfactants and deuterium order parameter were used to study hydrophobic properties of the two surfactants. The simulation results showed that there were well synergistic effects between SDBS and SB12-3, and the synergistic effects reached maximum when the ratio of SDBS and SB12-3 was 4:6. There was strong interaction between −SO 3 − of SB12-3 and hydrogen atoms of water molecules. −N + in SB12-3 preferentially approached to −SO 3 − in SDBS by the electronic interaction, making two surfactants intertwine with each other. The analysis results from angles and deuterium order parameter indicated the hydrocarbon chains of SDBS were prone to stretch in the oil phase, showing good hydrophobic properties. The synergistic effects between SDBS and SB12-3 resulted from the hydrophilic properties of SB12-3 had a complementary action with the hydrophobic properties of SDBS.
Databáze: OpenAIRE
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