文献类型：期刊文献

英文题名：Effect of Hydrophilicity or Hydrophobicity of Polyelectrolyte on the Interaction between Polyelectrolyte and Surfactants: Molecular Dynamics Simulations

作者：Liu, Zhenhai[1,2];Shang, Yazhuo[1,2];Feng, Jian[3];Peng, Changjun[1,2];Liu, Honglai[1,2];Hu, Ying[1,2]

机构：[1]E China Univ Sci & Technol, State Key Lab Chem & Engn, Shanghai 200237, Peoples R China;[2]E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China;[3]Chuzhou Univ, Dept Chem & Life Sci, Chuzhou 239012, Anhui, Peoples R China

年份：2012

卷号：116

期号：18

起止页码：5516

外文期刊名：JOURNAL OF PHYSICAL CHEMISTRY B

收录：;EI(收录号：20122115038675);WOS:【SCI-EXPANDED(收录号:WOS:000303786500020)】；

基金：This work is supported by the National Natural Science Foundation of China (project nos. 21173079, 21136004), the 111 Project of the Ministry of Education of China (no. B08021), and the Fundamental Research Funds for the Central Universities.

语种：英文

外文关键词：Bottles - Micelles - Polyelectrolytes - Hydrophilicity - Molecular dynamics - Hydrophobicity

摘要：The effect of hydrophilicity or hydrophobicity of polyelectrolyte on the interaction between polyelectrolyte and oppositely charged surfactants was investigated by using coarse-grained molecular dynamics simulations. The aggregation of surfactants on the hydrophilic polyelectrolyte is significantly different from that on the hydrophobic polyelectrolyte. The complexes evolve from the "bottle brush", through the "necklace", then to the micelle. However, the rod-like micelle, in which polyelectrolyte wraps around the micelle surface, only appears in the hydrophilic polyelectrolyte system. For the hydrophobic polyelectrolyte system, the spherical micelle is formed, and the polyelectrolyte penetrates into the hydrophobic core of complexes. The hydrophobic nature of the surfactant tails induces the surfactant's tendency to depart from the hydrophilic polyelectrolyte and point toward the bulk phase, but it is apt to combine with the hydrophobic polyelectrolyte, leading to a parallel configuration between the surfactants and the polyelectrolyte. When the charge ratio (Z) of surfactant to polylelectrolyte is lower, the polyelectrolyte shows extended structure, and with the increase of Z, the polyelectrolyte collapse undergoes either a continuous or an abrupt change depending on if it is a hydrophobic or hydrophilic polyelectrolyte. At higher charge density of the hydrophilic there is a synergistic effect of the electrostatic interaction between surfactant and polyelectrolyte, with the hydrophobic interaction among the adsorbed surfactants. For the hydrophobic polyelectrolyte system, no synergistic effect is observed.