Molecular-dynamic simulation of aliphatic alcohols distribution between the micelle of 3-methyl-1-dodecylimidazolium bromide and their aqueous surrounding
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- 作者：Elena A. Belyaeva ; eabelyaeva@mail.ru" class="auth_mail" title="E-mail the corresponding author ; e.a.belyaeva@spbu.ru" class="auth_mail" title="E-mail the corresponding author ; Aleksandr A. Vanin ; Yuri A. Anufrikov ; Natalia A. Smirnova
- 关键词：Micellization of 3-methyl-1-dodecylimidazolium bromide ; Room-temperature ionic liquids ; Distribution coefficients ; Molecular dynamic simulations ; Solubilization
- 刊名：Colloids and Surfaces A: Physicochemical and Engineering Aspects
- 出版年：2016
- 出版时间：5 November 2016
- 年：2016
- 卷：508
- 期：Complete
- 页码：93-100
- 全文大小：2778 K
文摘
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MD simulations of 3-methyl-1-dodecylimidazolium bromide micellization in aqueous solutions.
Ethanol, butanol-1 and octanol-1 distribution between the micelle and the aqueous surrounding.
Ethanol at low concentration demonstrates the cosolvent properties, at high concentrations cosurfactant properties.
Butanol and octanol are cosurfactants in the investigated concentrations range.
Ethanol distribution coefficient is equal to 0.30, butanol and octanol coefficients depend on their concentrations.