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Journal of Shanghai University >

2018 , Vol. 24 >Issue 6: 912 - 924

DOI: https://doi.org/10.12066/j.issn.1007-2861.1880

Research Paper

Self-assembly behaviors of zwitterionic heterogemini surfactant in aqueous solution: a dissipative particle dynamics simulation

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  • 1. School of Environmental and Chemical Engineering, Shanghai University, Shanghai 200444, China
    2. School of Material Science and Chemical Engineering, Chuzhou University, Chuzhou 239000, Anhui, China

Received date: 2017-02-20

  Online published: 2018-12-24

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Abstract

Self-assembly behaviors of a series of zwitterionic heterogemini surfactants C$_{m}$H$_{2m+1}$-PO$^{4-}$-(CH$_{2}) _{2}$-N$^{+}$(CH$_{3})_{2}$-C$_{n}$H$_{2n+1}$, abbreviated as C$_{m}$-P-N-C$_{n}$ $(m, n$=9, 9; 9, 12; 9, 15; 9, 18; 12, 12; 12, 15; 12, 18; 15, 15; 15, 18 and 18, 18), have been investigated in aqueous solution with a dissipative particle dynamics (DPD) method. Morphologies such as sphere (S), rod (R), planar grid (PG), lamella (L), honeycomb (H), one-, two- and three-dimensional tunnels (1DT, 2DT and 3DT) have been observed. With increase of surfactant concentration in the aqueous solution, a distinct transition path S—R—PG—3DT—L—2DT—1DT is shown to be common for all simulated systems. Besides, the hydrophobic chain length has a significant influence on the self-assembly behaviors when $m\neq n$. Radial distribution function is an effective method for quantitative evaluation of interaction and relationship between each functional group in the C$_m$-P-N-C$_n$ molecule and water. The results provide an insight into self-assembly behaviors of zwitterionic heterogemini surfactants and corresponding applications.

Key words： self-assembly; zwitterionic heterogemini surfactant; dissipative particle dynamics

Cite this article

XU Yi, MAO Xinjian, GUO Siyu, FENG Jian . Self-assembly behaviors of zwitterionic heterogemini surfactant in aqueous solution: a dissipative particle dynamics simulation[J]. Journal of Shanghai University, 2018 , 24(6) : 912 -924 . DOI: 10.12066/j.issn.1007-2861.1880

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