Journal of Shanghai University 2018, Vol. 24 Issue (6): 912-924 DOI: 10.12066/j.issn.1007-2861.1880
Self-assembly behaviors of zwitterionic heterogemini surfactant in aqueous solution: a dissipative particle dynamics simulation
XU Yi1, MAO Xinjian1, GUO Siyu1, FENG Jian2
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
AbstractSelf-assembly behaviors of a series of zwitterionic heterogemini surfactants CmH2m+1-PO4?-(CH2)2-N+(CH3)2-CnH2n+1, abbreviated as Cm-P-N-Cn (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 threedimensional 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≠n. Radial distribution function is an effective method for quantitative evaluation of interaction and relationship between each functional group in the Cm-P-N-Cn molecule and water. The results provide an insight into self-assembly behaviors of zwitterionic heterogemini surfactants and corresponding applications.
Received: 20 February 2017
Published: 24 December 2018