两性杂双子表面活性剂在水溶液中的自组装行为: 耗散粒子动力学模拟

doi:10.12066/j.issn.1007-2861.1880

Abstract

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

CLC Number:

O242.1

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（Natural Science Edition）, 2018, 24(6): 912-924.

Figures/Tables 9

Fig. 1

Table 1

Fig. 2

Fig. 3

Fig. 4

Fig. 5

Fig. 6

Fig. 7

Fig. 8

References 38

[1]	Rosen M J. Geminis: a new generation of surfactants[J]. Chem Tech, 1993,23(3):30-33.
[2]	任伟东, 牛瑞霞, 廖凌之, 等. Gemini型甜菜碱表面活性剂合成进展[J]. 化学通报, 2015,78(1):10-15.
[3]	赵永, 丁国华, 刘峥. 双子表面活性剂的合成与应用研究进展[J]. 精细石油化工, 2015,32(2):75-80.
[4]	高南, 李国荣, 陈旭东. 双子表面活性剂的合成及应用研究进展[J]. 日用化学工业, 2014,44(11):644-651.
[5]	任立伟. 钻井液用表面活性剂的研究与应用进展[J]. 中外能源, 2016,21(4):34-39.
[6]	王军, 陈玉菲, 李妮妮, 等. 糖基季铵盐双子表面活性剂的缓蚀性能[J]. 腐蚀与防护, 2015,36(2):144-147.
[7]	柴仕淦, 贾钗, 李欣怡, 等. 季铵盐型Gemini表面活性剂去除铜绿微囊藻[J]. 环境工程技术学报, 2016,6(1):8-15.
[8]	Bunton C A, Robinson L B, Schaak J, et al. Catalysis of nucleophilic substitutions by micelles of dicationic detergents[J]. J Org Chem, 1971,36(16):2346-2350.
[9]	Jaeger D A, Li B, Clark T. Cleavable double-chain surfactants with one cationic and one anionic head group that form vesicles[J]. Langmuir, 1996,12(18):4314-4316.
[10]	Alami E O, Holmberg K. Heterogemini surfactants[J]. Colloid Interface Sci, 2003,100:13-46.
[11]	Peresypkin A V, Menger F M. Zwitterionic geminis. Coacervate formation from a single organic compound[J]. Org Lett, 1999,1(9):1347-1350.
[12]	Oda R, Huc I, Candau S J. Gemini surfactants, the effect of hydrophobic chain length and dissymmetry[J]. Chem Commun, 1997(21):2105-2106.
[13]	Menger F M, Peresypkin A V. A combinatorially-derived structural phase diagram for42 zwitterionic geminis[J]. J Am Chem Soc, 2001,123(23):5614-5615.
[14]	Menger F M, Seredyuk V A, Apkarian R P, et al. Colloidal assemblies of branched geminis studied by cryo-etch-HRSEM[J]. J Am Chem Soc, 2002,124(42):12408-12409. doi: 10.1021/ja021025w pmid: 12381171
[15]	Menger F M, Peresypkin A V. Strings of vesicles: flow behavior in an unusual type of aqueous gel[J]. J Am Chem Soc, 2003,125(18):5340-5345.
[16]	Nyuta K, Yoshimura T, Esumi K. Surface tension and micellization properties of heterogemini surfactants containing quaternary ammonium salt and sulfobetaine moiety[J]. J Colloid Interface Sci, 2006,301(1):267-273. doi: 10.1016/j.jcis.2006.04.075 pmid: 16730355
[17]	Nyuta K, Yoshimura T, Tsuchiya K, et al. Adsorption and aggregation properties of heterogemini surfactants containing a quaternary ammonium salt and a sugar moiety[J]. Langmuir, 2006,22(22):9187-9191. doi: 10.1021/la061688h pmid: 17042528
[18]	Takamatsu Y, Iwata N, Tsubone K, et al. Synjournal and aqueous solution properties of novel anionic heterogemini surfactants containing a phosphate headgroup[J]. J Colloid Interface Sci, 2009,338(1):229-235. doi: 10.1016/j.jcis.2009.06.016 pmid: 19586636
[19]	Nyuta K, Yoshimura T, Tsuchiya K, et al. Zwitterionic heterogemini surfactants containing ammonium and carboxylate headgroups 2: aggregation behavior studied by SANS, DLS, and cryo-TEM[J]. J Colloid Interface Sci, 2012,370(1):80-85. doi: 10.1016/j.jcis.2011.12.027 pmid: 22261272
[20]	Liu S W, Wang X W, Chen L M, et al. Aggregation morphologies of a series of heterogemini surfactants with a hydroxyl head group in aqueous solution[J]. Soft Matter, 2014,10(45):9177-9186. pmid: 25322148
[21]	Kwasniewska D, Staszak K, Wieczorek D, et al. Synjournal and interfacial activity of novel heterogemini sulfobetaines in aqueous solution[J]. J Surfactants Deterg, 2015,18(3):477-486. pmid: 25814830
[22]	Yu E L, Mamat X, Zhang Y G, et al. Synjournal of novel zwitterionic heterogemini surfactants derived from fatty acid and investigation of their behavior at the air-water interface[J]. Lett Org Chem, 2015,12(8):591-597.
[23]	赵剑曦. 杂双子表面活性剂的研究进展[J]. 化学进展, 2005,17(6):987-993.
[24]	Layn K M, Debenedetti P G, Prud'homme R K. A theoretical study of gemini surfactant phase behavior[J]. J Chem Phys, 1998,109(13):5651-5658.
[25]	Xu Y, Yu X L, Yan H, et al. Self-assembly behaviors of heterogemini surfactant in aqueous solution investigated by dissipative particle dynamics[J]. J Dispersion Sci Technol, 2014,35(9):1300-1307.
[26]	Xu Y, Wang L L, Yan H, et al. Dissipative particle dynamics simulation for the effect of interaction on the self-assembly behaviours of heterogemini surfactant in aqueous solution[J]. Mol Phys, 2016,114(2):304-314.
[27]	Hoogerbrugge P J, Koelman J M V A. Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics[J]. Europhys Lett, 1992,19(3):155-160.
[28]	Koelman J M V A, Hoogerbrugge P J. Dynamic simulations of hard-sphere suspensions under steady shear[J]. Europhys Lett, 1993,21(3):363-368.
[29]	Español P, Warren P B. Statistical mechanics of dissipative particle dynamics[J]. Europhys Lett, 1995,30(4):191-196.
[30]	Groot R D, Warren P B. Dissipative particle dynamics: bridging the gap between atomistic and mesoscopic simulation[J]. J Chem Phys, 1997,107(11):4423-4435.
[31]	Groot R D, Madden T J. Dynamic simulation of diblock copolymer microphaseseparation[J]. J Chem Phys, 1998,108(20):8713-8724.
[32]	Groot R D, Madden T J, Tildesley D J. On the role of hydrodynamic interactions in block copolymer microphase separation[J]. J Chem Phys, 1999,110(19):9739-9749.
[33]	Yuan S L, Cai Z T, Xu G Y. Mesoscopic simulation of aggregates in surfactant/oil/water systems[J]. Chin J Chem, 2003,21(2):112-116.
[34]	Español P. Hydrodynamics from dissipative particle dynamics[J]. Phys Rev E, 1995,52(2):1734-1742.
[35]	Cao X R, Xu G Y, Li Y M, et al. Aggregation of poly(ethylene oxide)-poly(propylene oxide) block copolymers in aqueous solution: DPD simulation study[J]. J Phys Chem A, 2005,109(45):10418-10423. doi: 10.1021/jp053636r pmid: 16833339
[36]	Yang C J, Chen X, Qiu H Y, et al. Dissipative particle dynamics simulation of phase behavior of aerosol OT/water system[J]. J Phys Chem B, 2006,110(43):21735-21740. doi: 10.1021/jp0623692 pmid: 17064133
[37]	Chen S, Guo C, Hu G H, et al. Dissipative particle dynamics simulation of gold nanoparticles stabilization by PEO-PPO-PEO block copolymer micelles[J]. Colloid Polym Sci, 2007,285(14):1543-1552.
[38]	Wu H, Xu J B, He X F, et al. Mesoscopic simulation of self-assembly in surfactant oligomers by dissipative particle dynamics[J]. Colloids Surf A, 2006,290(1/2/3):239-246.

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

RichHTML

PDF

Knowledge

Abstract

Cite this article

share this article

Figures/Tables 9

References 38

Related Articles 6

Recommended Articles

Metrics

Comments

[1]	ZHOU Jiamin, Lü Xiaoqing, ZHU Anqi. Preparation of nanoparticles poly ionic liquid via RAFT dispersion polymerization of ionic liquid monomer [J]. Journal of Shanghai University（Natural Science Edition）, 2019, 25(2): 293-300.
[2]	ZOU Xiaoliang, GU Jun, SUN Yuren, QIAN Qun. Synthesis and self-assembly of Boc-protected bisguanidines [J]. Journal of Shanghai University（Natural Science Edition）, 2018, 24(1): 66-73.
[3]	SHEN Shiyuan, ZHOU Zhewei. Dissipative particle dynamics simulation of nanoparticles droplet [J]. Journal of Shanghai University（Natural Science Edition）, 2016, 22(5): 560-572.
[4]	HUANG Ru-jia, HU Guo-hui, ZHOU Zhe-wei. Effect of Solid Wall Model on Simulation of Nanoparticle Adsorption in Dissipative Particle Dynamics [J]. Journal of Shanghai University（Natural Science Edition）, 2014, 20(3): 337-347.
[5]	XU Yi-1, FENG Jian-2. Microphase Separation of Star-Diblock Copolymer Films by Dissipative Particle Dynamics Simulation [J]. Journal of Shanghai University（Natural Science Edition）, 2010, 16(5): 476-481.
[6]	LI Zhen,HU Guo-hui,ZHOU Zhe-wei. A Numerical Method for Imposing Slip Boundary Conditions in Dissipative Particle Dynamics [J]. Journal of Shanghai University（Natural Science Edition）, 2009, 15(6): 628-633.