Prediction of striped cylindrical micelles (SCMs) formed by dodecyl-β-d-maltoside (DDM) surfactants†,Soft Matter

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Prediction of striped cylindrical micelles (SCMs) formed by dodecyl-β-d-maltoside (DDM) surfactants†
Soft Matter ( IF 2.9 ) Pub Date : 2018-03-14 00:00:00 , DOI: 10.1039/c8sm00274f
Taraknath Mandal _{1,

2,

3,

4} , Ronald G. Larson _{1,

2,

3,

4}

Affiliation

Using fully atomistic and coarse-grained (CG) molecular dynamics (MD) simulations, we report, for the first time, the self-assembly of initially randomly dispersed dodecyl-β-D-maltoside (DDM) surfactants into a striped cylindrical micelle (SCM) with lamellae of surfactant heads and tails alternating along the cylindrical axis, with both heads and tails in contact with the water. By changing the interaction strength of the head group with water relative to itself, we find that such micelles are most likely for head groups with marginal solubility in the water solvent. Unlike the surfactants in a regular cylindrical micelle, whose tails are in the fluid micelle interior, the diffusion of DDM surfactants along the micelle body is blocked by the lamellar patterning. As a consequence, branches cannot slide along the micelle body and surfactant molecules cannot exchange between the micelle body and the branch, which should have a significant impact on the rheological properties of these micelles.

中文翻译：

十二烷基-β - d-麦芽糖苷（DDM）表面活性剂形成的条纹状圆柱胶束（SCM）的预测†

使用完全原子和粗粒度（CG）分子动力学（MD）模拟，我们首次报告了最初随机分散的十二烷基-β - D的自组装-麦芽糖苷（DDM）表面活性剂转变成带状圆柱状胶束（SCM），表面活性剂的头和尾沿着叶片的轴向交替排列，头和尾都与水接触。通过改变头基与水相对于自身的相互作用强度，我们发现这种胶束最可能在水溶剂中具有少量溶解度的头基。与常规圆柱状胶束中的表面活性剂不同，后者的尾部在流体胶束内部，而DDM表面活性剂沿着胶束体的扩散被层状图案所阻止。结果，分支不能沿着胶束体滑动并且表面活性剂分子不能在胶束体与分支之间交换，这应该对这些胶束的流变性质产生重大影响。

更新日期：2018-03-14

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