title: Study on the transformation from linear to branched wormlike micelles: An insight from molecular dynamics simulation.
abstract: Transformation from linear to branched wormlike micelle generally results in the dramatic loss of viscoelasticity. In this study, adopting Coarse-grained molecular dynamics simulation, the conformational transformation was studied in a binary system of cetyltrimethylammonium chloride (CTAC) and sodium salicylate (Nasal). A gross conformation diagram of micelle at different CTAC concentrations and molar ratios of CTAC/Nasal indicates that the branched structure could form at zeta potential lower than 32mV. Further, the dynamic process displays that four sequential stages, approaching, forming salt bridge, yielding stalk, and coalescing together, involve in this transformation. And a fascinating process, an organic salt bridge first form between two approaching micelles and then induces the surfactant jump out to form stalk, was observed. In addition, some rational strategies were proposed to reduce the probability of this conformational transformation. Our study provides a molecular-level understanding of transformation behaviour from linear to branched wormlike micelles.
authors.affiliation: College of Science, China University of Petroleum, 266580 Qingdao, Shandong, China; Key Laboratory of New Energy Physics & Materials Science in Universities of Shandong, China University of Petroleum, 266580 Qingdao, Shandong, China.
authors.forename: Pan
authors.initials: P
authors.lastname: Wang
authors.affiliation: College of Science, China University of Petroleum, 266580 Qingdao, Shandong, China; Key Laboratory of New Energy Physics & Materials Science in Universities of Shandong, China University of Petroleum, 266580 Qingdao, Shandong, China.
authors.forename: Shuai
authors.initials: S
authors.lastname: Pei
authors.affiliation: College of Science, China University of Petroleum, 266580 Qingdao, Shandong, China; Key Laboratory of New Energy Physics & Materials Science in Universities of Shandong, China University of Petroleum, 266580 Qingdao, Shandong, China.
authors.forename: Muhan
authors.initials: M
authors.lastname: Wang
authors.affiliation: College of Science, China University of Petroleum, 266580 Qingdao, Shandong, China; Key Laboratory of New Energy Physics & Materials Science in Universities of Shandong, China University of Petroleum, 266580 Qingdao, Shandong, China.
authors.forename: Youguo
authors.initials: Y
authors.lastname: Yan
authors.affiliation: College of Science, China University of Petroleum, 266580 Qingdao, Shandong, China. Electronic address: sunxiaoli@upc.edu.cn.
authors.forename: Xiaoli
authors.initials: X
authors.lastname: Sun
authors.affiliation: College of Science, China University of Petroleum, 266580 Qingdao, Shandong, China; Key Laboratory of New Energy Physics & Materials Science in Universities of Shandong, China University of Petroleum, 266580 Qingdao, Shandong, China. Electronic address: zhangjun.upc@gmail.com.
authors.forename: Jun
authors.initials: J
authors.lastname: Zhang
keywords: Branched wormlike micelle; Coarse-grained molecular dynamics simulation; Self-assembly; Wormlike micelle