The Relationship between Wormlike Micelle Scission Free Energy and Micellar Composition: The Case of Sodium Lauryl Ether Sulfate and Cocamidopropyl Betaine

被引:17
|
作者
Wand, Charlie R. [1 ]
Panoukidou, Maria [1 ]
Del Regno, Annalaura [2 ,3 ]
Anderson, Richard L. [2 ]
Carbone, Paola [1 ]
机构
[1] Univ Manchester, Dept Chem Engn & Analyt Sci, Manchester M13 9PL, Lancs, England
[2] Sci Tech Daresbury, STFC Hartree Ctr, Warrington WA4 4AD, Cheshire, England
[3] BASF SE, Mat Mol Modeling, D-67056 Ludwigshafen, Germany
基金
英国工程与自然科学研究理事会;
关键词
MESOSCOPIC SIMULATION; DODECYL-SULFATE; RAW-MATERIALS; DYNAMICS; RHEOLOGY; SURFACTANTS; BEHAVIOR; SALT; TRANSITION; PREDICTION;
D O I
10.1021/acs.langmuir.0c02210
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The scission energy is the difference in free energy between two hemispherical caps and the cylindrical region of a wormlike micelle. This energy difference determines the logarithm of the average micelle length, which affects several macroscopic properties such as the viscosity of viscoelastic fluids. Here we use a recently published method by Wang et al. (Langmuir, 2018, 34, 1564-1573) to directly calculate the scission energy of micelles composed of monodisperse sodium lauryl ether sulfate (SLESnEO), an anionic surfactant. Utilizing dissipative particle dynamics (DPD), we perform a systematic study varying the number of ethoxyl groups (n) and salt concentration. The scission energy increases with increasing salt concentration, indicating that the formation of longer micelles is favored. We attribute this to the increased charge screening that reduces the repulsion between head groups. However, the scission energy decreases with increasing number of ethoxyl groups as the flexibility of the head group increases and the sodium ion becomes less tightly bound to the head group. We then extend the analysis to look at the effect of a common cosurfactant, cocamidopropyl betaine (CAPB), and find that its addition stabilizes wormlike micelles at a lower salt concentration.
引用
收藏
页码:12288 / 12298
页数:11
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