Molecular dynamics simulation study of the interaction of mixed cationic/anionic surfactants with muscovite
Molecular dynamics simulation study of the interaction of mixed cationic/anionic surfactants with muscovite
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DOI：
10.1016/j.apsusc.2014.11.160
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发表时间：
2015-02-01
影响因子：
6.7
通讯作者：
Sun, Yongsheng
中科院分区：
文献类型：
--
作者：
Wang, Li;Hu, Yuehua;Sun, Yongsheng
用分子动力学模拟方法研究了十二胺(DDAH)、油酸盐(NaOL)及其混合物在水溶液中在白云母表面的吸附行为。结果表明，DDAH分子通过静电相互作用和氢键吸附在白云母表面。相反，NaOL分子不能独立吸附在白云母表面。白云母表面形成了DDAH和NaOL分子的胶束结构。DDAH分子在混合表面活性剂在白云母表面的吸附中起主导作用，而NaOL分子与DDAH分子共吸附。钠离子在混合表面活性剂的吸附中也起着重要作用。为研究混合表面活性剂在矿物表面的吸附构型和吸附机理提供了模板。(C)2014爱思唯尔B.V.保留所有权利。
Molecular dynamics simulations were performed to investigate the adsorption of dodecylamine (DDAH), oleate (NaOL) and the mixture of the two ions on a muscovite surface in an aqueous solution. The results indicate that DDAH molecules absorb on the muscovite surface by electrostatic interactions and hydrogen bonding. In contrast, NaOL molecules cannot independently adsorb on the muscovite surface. A micelle structure of DDAH and NaOL molecules forms on the muscovite surface. The DDAH molecules are determined to play a dominant role in the adsorption of the mixed surfactants on the muscovite surface, while the NaOL molecules co-adsorb with the DDAH molecules. Sodium ions also play an important role in the adsorption of the mixed surfactants. This paper may provide a template for studying the adsorption configuration and mechanism of mixed surfactants on mineral surfaces. (C) 2014 Elsevier B.V. All rights reserved.