化学学报 ›› 2009, Vol. 67 ›› Issue (21): 2421-2426. 上一篇    下一篇

研究论文

聚丙烯酸环境响应行为的研究

黄 茜a   李 英*,a    张 辉a     宋新旺b    李全伟a     曹绪龙b     李振泉b   

  1. (a 山东大学化学与化工学院胶体与界面教育部重点实验室 济南 250100) (b中石化胜利油田地质科学研究院 东营 257015)
  • 投稿日期:2009-02-18 修回日期:2009-04-30 发布日期:2009-07-04
  • 通讯作者: 李英 E-mail:yingli@sdu.edu.cn
  • 基金资助:

    国家自然科学基金(No.60876056)资助项目;中石化重大先导试验项目(No.P03003),中石化重点项目(No.P04049)资助

Environmental-responsive Behavior of Poly(Acrylic Acid)

Huang, Qiana   Li, Ying*,a    Zhang, Huia    Song, Xinwangb    Li, Quanweia      Cao, Xulongb      Li, Zhenquanb   

  1. (a Key Laboratory for Colloid and Interface Chemistry of State Education Ministry, Shandong University, Jinan 250100) (b Geological Scientific Research Institute, Shengli Oilfield, Dongying 257015)
  • Received:2009-02-18 Revised:2009-04-30 Published:2009-07-04

采用介观动力学分子模拟(Mesodyn)和耗散颗粒动力学(DPD)分子模拟与流变等实验技术相结合的方法, 研究了pH/无机盐敏感聚合物聚丙烯酸PAA在水溶液中的环境响应行为, 考察了聚合物浓度、溶液离子强度、聚合物表面电荷对PAA相行为的影响. 实验结论与模拟结果符合得很好, 对照分析给出了聚丙烯酸的环境响应机制, 为设计和应用环境敏感的智能体系提供指导和理论依据.

关键词: 分子模拟, 聚丙烯酸, 环境响应, pH, 离子强度

MesoDyn density functional and dissipative particle dynamic simulation methods were employed to study the environmental-responsive behavior of poly(acrylic acid) (PAA) in aqueous solution, integrated with the rheological experimental measurement. In particular, the variation of phase behavior of poly(acrylic acid) caused by the change of the concentration of the polymer, pH, and ionic strength has been investigated. The mesoscopic morphology formation of PAA systems in different environment conditions was identified, and the effect of the interaction between PAA chains on the formation of micelles was discussed. The simulation phase structure agrees very well with the phenomenon observed in experiments, and the environmental response mechanism of PAA determined by combinating the experimental and simulation results might provide impactful direction for the design of smart fluid in practical processes.

Key words: molecular simulation, poly(acrylic acid), environmental-responsive, pH, ionic strength

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