Aggregation behavior of nonionic Gemini surfactant molecules in water

化学工业与工程

Chemcial Industry and Engineering

2022, Vol. 39

Issue (4) :116-126 DOI: 10.13353/j.issn.1004.9533.20210318

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Aggregation behavior of nonionic Gemini surfactant molecules in water

WANG Hui^1,2, XU Jinjie^1,2, DANG Leping^1,2, WEI Hongyuan^1,2

1. School of Chemical Engineering and Technology, Tianjin University, Tianjin 300072, China;
2. Tianjin Key Laboratory of Chemical Process Safety and Equipment Technology, Tianjin 300072, China

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Abstract In this study, the aggregation behavior of nonionic Gemini surfactants in aqueous solution and the distribution of surfactant molecules at water-air interface were studied by combining experimental and dissipative particle dynamics simulative methods. The results show the monomer and polymer-cluster of the α, α'-[2, 4, 7, 9-tetramethyl-5-decyne-4, 7-diyl]bis[ω-hydroxyl-poly(ethylene oxide)] with 10 EO per molecule(S-10) coexist in solutions with low concentration. With the increase of concentration, the surfactant molecules agglomerate into spherical micelles and increase in size. When the size of spherical micelles increases to a certain extent, they cannot exist stably and agglomerate into rodlike micelles. At the water-air interface, the surfactant molecules either lie vertically or horizontally at the interface, but with the increase of concentration, hydrophobic groups are vertically arranged when being inserted into the air while the EO segment shows an irregular zigzag distribution in water. With the increase of EO chain segment in length, the minimum adsorption molecular cross-sectional area of S-4, S-10 and S-30 gradually increase. This is why the wettability of the EO segment decreases as its length grows. The method of combining experiment and simulation provides a new idea for studying the aggregation behavior of nonionic Gemini surfactants, and the accuracy of the experiment can be quickly judged by the simulation results.

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	WANG Hui
	XU Jinjie
	DANG Leping
	WEI Hongyuan

Keywords： Gemini micelles aggregation behavior surface tension DPD

Received 2021-03-18;

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WANG Hui, XU Jinjie, DANG Leping, WEI Hongyuan.Aggregation behavior of nonionic Gemini surfactant molecules in water[J] Chemcial Industry and Engineering, 2022,V39(4): 116-126

[1] NIEH M P,KUMAR S K,FERNANDO R H,et al.Effect of the hydrophilic size on the structural phases of aqueous nonionic Gemini surfactant solutions[J].Langmuir:The ACS Journal of Surfaces and Colloids,2004,20(21):9061-9068
[2] SCHRAMM L L.Surfactants[M].Cambridge:Cambridge University Press,2000
[3] GODDARD E D.Polymer/surfactant interaction:Interfacial aspects[J].Journal of Colloid and Interface Science,2002,256(1):228-235
[4] YANG J.Viscoelastic wormlike micelles and their applications[J].Current Opinion in Colloid&Interface Science,2002,7(5/6):276-281
[5] HOOGERBRUGGE P J,KOELMAN J M V A.Simulating microscopic hydrodynamic phenomena with dissipative particle dynamics[J].Europhysics Letters (EPL),1992,19(3):155-160
[6] GROOT R D,MADDEN T J.Dynamic simulation of diblock copolymer microphase separation[J].The Journal of Chemical Physics,1998,108(20):8713-8724
[7] MA Y,WANG Y,DENG X,et al.Dissipative particle dynamics and molecular dynamics simulations on mesoscale structure and proton conduction in a SPEEK/PVDF-g-PSSA membrane[J].RSC Advances,2017,7(63):39676-39684
[8] ZHEN L,LIU K,HUANG D,et al.Structure-property relationship of sulfosuccinic acid diester sodium salt micelles:3D-QSAR model and DPD simulation[J].Journal of Dispersion Science and Technology,2016,37(7):941-948
[9] BORNER A,PANERAI F,MANSOUR N N.High temperature permeability of fibrous materials using direct simulation Monte Carlo[J].International Journal of Heat and Mass Transfer,2017,106:1318-1326
[10] ARAI N,YASUOKA K,MASUBUCHI Y.Spontaneous self-assembly process for threadlike micelles[J].The Journal of Chemical Physics,2007,doi:10.1063/1.2747240
[11] KHEDR A,STRIOLO A.DPD parameters estimation for simultaneously simulating water-oil interfaces and aqueous nonionic surfactants[J].Journal of Chemical Theory and Computation,2018,14(12):6460-6471
[12] VISHNYAKOV A,LEE M T,NEIMARK A V.Prediction of the critical micelle concentration of nonionic surfactants by dissipative particle dynamics simulations[J].The Journal of Physical Chemistry Letters,2013,4(5):797-802
[13] CAO X,XU G,LI Y,et al.Aggregation of poly (ethylene oxide)-poly (propylene oxide) block copolymers in aqueous solution:DPD simulation study[J].The Journal of Physical Chemistry A,2005,109(45):10418-10423
[14] ZHOU G,GAO M,DENG X,et al.A mesoscopic DPD simulation study on long chain quaternary ammonium gemini surfactant solution[J].Journal of Dispersion Science and Technology,2020,42(1):58-66
[15] TAN H,WANG Z,LI J,et al.An approach for the sphere-to-rod transition of multiblock copolymer micelles[J].ACS Macro Letters,2013,2(2):146-151
[16] SATO S,KISHIMOTO H.Thermodynamic and viscometric studies on the solution state of surfynol 465 in water[J].Bulletin of the Chemical Society of Japan,1985,58(1):282-287
[17] SATO S,KISHIMOTO H.Osmotic and activity coefficients of a nonionic surfactant,surfynol 465,at its higher concentrations in water[J].Journal of Colloid and Interface Science,1988,126(1):108-113
[18] SATO S,KISHIMOTO H.Enthalpic studies on the formation and interaction of micelles of a nonionic,surfynol 465[J].Journal of Colloid and Interface Science,1988,123(1):216-223
[19] SATO S,KISHIMOTO H.Behavior of nonionic surfactant,surfynol 465,in aqueous media[M]//Surfactants in Solution.Boston,MA:Springer US,1989:341-357
[20] SATO S.Micellar behavior of a nonionic surfactant,surfynol 465,from carbon-13 NMR resonance frequencies in water-d2[J].The Journal of Physical Chemistry,1989,93(12):4829-4833
[21] SATO S,ASAI N,YONESE M.Formation of colloidal silver in the presence of a nonionic surfactant,Surfynol 465[J].Colloid and Polymer Science,1996,274(9):889-893
[22] SATO S,TODA K,ONIKI S.Kinetic study on the formation of colloidal gold in the presence of acetylenic glycol nonionic surfactant[J].Journal of Colloid and Interface Science,1999,218(2):504-510
[23] SATO S.Raman scatterings of colloidal silver and gold prepared in the presence of a nonionic surfactant,Surfynol 465[J].Colloid and Polymer Science,1996,274(12):1161-1169
[24] MUSSELMAN S W,CHANDER S.Wetting and adsorption of acetylenic diol based nonionic surfactants on heterogeneous surfaces[J].Colloids and Surfaces A:Physicochemical and Engineering Aspects,2002,206(1/2/3):497-513
[25] GROOT R D,WARREN P B.Dissipative particle dynamics:Bridging the gap between atomistic and mesoscopic simulation[J].The Journal of Chemical Physics,1997,107(11):4423-4435
[26] GROOT R D.Mesoscopic simulation of polymer-surfactant aggregation[J].Langmuir,2000,16(19):7493-7502
[27] BLANCO M.Molecular silverware.I.General solutions to excluded volume constrained problems[J].Journal of Computational Chemistry,1991,12(2):237-247
[28] GROOT R D,RABONE K L.Mesoscopic simulation of cell membrane damage,morphology change and rupture by nonionic surfactants[J].Biophysical Journal,2001,81(2):725-736
[29] MAITI A,MCGROTHER S.Bead-bead interaction parameters in dissipative particle dynamics:Relation to bead-size,solubility parameter,and surface tension[J].The Journal of Chemical Physics,2004,120(3):1594-1601
[30] MITTAL K L,SHAH D O.Adsorption and aggregation of surfactants in solution[M].Marcel Dekker,2003,doi:10.1201/9780203910573