Dynamics Simulation on the Associative Properties of Amphiphilic Functional Monomer Modified Polyacrylamide Copolymers

• Published in: Chinese journal of polymer science 2015-04, Vol.33 (4), p.540-553
• Main Authors: Zhang, Pan, Yao, Lin, Luo, Jian-hui, Ding, Bin, Zhou, Ge, Jiang, Bo
• Format: Article
• Language: English
• Subjects: Carbon; Characterization and Evaluation of Materials; Chemistry; Chemistry and Materials Science; Condensed Matter Physics; Distribution functions; Industrial Chemistry/Chemical Engineering; Monomers; Networks; Polyacrylamides; Polymer Sciences; Radial distribution; Simulation; Viscosity; 丙烯酰胺共聚物; 两亲性; 功能单体; 动力学模拟; 径向分布函数; 改性单体; 相关属性; 部分水解聚丙烯酰胺
• ISSN: 0256-7679; 1439-6203
• DOI: 10.1007/s10118-015-1605-3

A kind of amphiphilic functional monomer was selected to modify polyacrylamide （PAM） or partially hydrolyzed polyacrylamide （HPAM）. The relative properties of the modified polyacrylamide （HM-PAM） and modified partially hydrolyzed polyacrylamide （HM-HPAM） such as radius of gyration （Rg）, hydrodynamic radius （RH）, and radial distribution functions （RDFs） have been studied to find the intrinsic relation between the microstructure of the polymer chain and the intrinsic viscosities with changing the amotmt of modified monomers from 1% to 4%. The simulation results show that, compared to HPAM, HM-HPAM has a better performance in increasing viscosity when the percentage of modified monomers is 2% and has a stronger salt tolerance when the modified monomers is 4%. Furthermore, a complex hydrogen bonding network was revealed with the analysis of radial distribution functions （RDFs） and the pair correlation function was used to investigate the diffusivity of Na^＋ and carbon atoms in the COO^- group.