文献类型：期刊文献

英文题名：Effects of the hydrophilicity or hydrophobicity of the neutral block on the structural formation of a block polyelectrolyte/surfactant complex: A molecular dynamics simulation study

作者：Liu, Z. H.[1,2];Lv, W. J.[3];Zhao, S. L.[1];Shang, Y. Z.[1,2];Peng, C. J.[1,2];Wang, H. L.[1,3];Liu, H. L.[1,2]

机构：[1]East China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China;[3]East China Univ Sci & Technol, State Environm Protect Key Lab Environm Risk Asse, Shanghai 200237, Peoples R China

年份：2015

卷号：2

起止页码：17

外文期刊名：COMPUTATIONAL CONDENSED MATTER

收录：WOS:【ESCI(收录号:WOS:000433737800003)】；

基金：This work is supported by the National Key Basic Research Program of China (2014CB748500), the National Natural Science Foundation of China (No. 91334203, 21173079, and 21206036), the 111 Project of China (No. B08021) and the Open Project of State Key Laboratory of Chemical Engineering of China (SKL-ChE-13C04). SZ also acknowledges the support provided by the Shanghai Science and Technology Committee Rising-Star Program (No. 14QA1401300).

语种：英文

外文关键词：Neutral block; Polyelectrolyte; Surfactants; Structure; Adsorption

摘要：The mechanism of how the neutral block in polyelectrolyte (PE) affects the interaction between PE and surfactants is investigated through coarse-grained simulations. We show that the neutral block plays profound roles on the structural formation of the PE/surfactant complex by assessing the adsorption of surfactants on a diblock or triblock PE and the resultant structures. For the diblock PE/surfactant system, adding a hydrophilic neutral block exerts little effect on the structural formation of the complex, while the presence of a hydrophobic neutral block enhances the adsorption of surfactants and facilitates the formation of a tri-layer core-shell structure. In the triblock PE/surfactant systems, two charged blocks located symmetrically at both ends of PE display asymmetric adsorption abilities for the surfactants. In addition, the presence of a charged middle block drives the PE/surfactant complex to form a micelle with two tails due to the hydrophilic blocks at both ends, while the hydrophobic ones drive the formation of a tri-layer core-shell structure with the PE chain showing a looped structure. If one end is hydrophilic and the other is hydrophobic, the complex tends to form a 'tadpole'-like structure in which the head is the tri-layered core-shell sphere, and the tail is the hydrophilic block. (C) 2015 The Authors. Published by Elsevier B.V.