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China Surfactant Detergent & Cosmetics ›› 2019, Vol. 49 ›› Issue (8): 537-544.doi: 10.3969/j.issn.1001-1803.2019.08.009
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GENG Tie1,ZHAO Chun-hua1,LIU Xue-jing1,SU Long2,ZHENG Li-qiang2,SUN Ji-chao2(
)
Received:2018-11-19
Revised:2019-08-06
Online:2019-08-22
Published:2019-08-26
Contact:
Ji-chao SUN
E-mail:jichaosun@sdu.edu.cn
CLC Number:
GENG Tie,ZHAO Chun-hua,LIU Xue-jing,SU Long,ZHENG Li-qiang,SUN Ji-chao. Molecular simulations for aggregation behavior of surfactant molecules at oil/water interface[J].China Surfactant Detergent & Cosmetics, 2019, 49(8): 537-544.
Fig. 1
The interfacial tension of four surfactant systems[19]"
Fig. 2
Snapshots of the simulation of oil/water/CTAB system at different oil/water ratios of 0.25（a）, 0.5（b）, 0.75（c）, 1（d）, 2（e）, 3（f）, 5（g）for c（CTAB）=0.053 mol/L, and at different CTAB concentrations of 0.005 mol/L（h）, 0.002 6 mol/L（i）, 0.053 mol/L（j）, 0.086 mol/L（k）, 0.099 mol/L（l）, 0.176 mol/L（m）, 250 mol/L（n）for oil/water ratio is 1 [25]"
Fig. 3
Sample snapshots with different numbers of surfactant molecules at interface （Surfactant number： a,18; b,50; c,122; d,134; e,140; f,162）[35]"
Fig. 4
Arrangement of one betaine surfactant molecule at decane/water interface[37]"
Fig. 5
A：The two groups of nonionic surfactant： a commom polyaromatic perylene core with two alkyl chains attached to the aliphatic chain end（a）; four differentterminal functional groups（b）. B：The interfacialtension of different systems[44]"
Fig. 6
Snapshots of the compounding of C12E3 molecule and nanoparticles[46]（Surfactant concentration： low concentration（a）; high concentration（b））"
Fig. 7
Snapshot of the mixed system of SB12-3/SDBS [55]"
Fig. 8
Mechanisms about interfacial assignment of betaine surfactant molecule with different carboxylic acids[37]"
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