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

作　　者：Pan Zhang Lin Yao Jian-hui Luo Bin Ding 周歌 Bo Jiang 

机构地区：[1]Key Laboratory of Green Chemistry and Technology,Ministry of Education,College of Chemistry,Sichuan University [2]Research Institute of Petroleum Explorations and Development of Petro China

出　　处：《Chinese Journal of Polymer Science》2015年第4期540-553,共14页高分子科学（英文版）

基　　金：financially supported by the National Natural Science Foundation of China(No.20904035)

摘　　要：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.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.

关 键 词：Intrinsic viscosity Molecular dynamic simulation Pair correlation function Radial distribution function Salt-tolerance. 

分 类 号：O633.22[理学—高分子化学]