Dynamics simulation on the association properties of amphiphilic functional monomer-modified polyacrylamide copolymers
Three kinds of functional monomers were selected to modify polyacrylamide (HM-PAM) or partially hydrolyzed polyacrylamide (HM-HPAM) by molecular dynamics simulation (MS,version 4.3 Accelrys Software Inc.,United States) so as to achieve the stronger salt-tolerance of modified HM-HPAM.The radius of gyration (Rg),the effective length (Lef),the hydrodynamic radius (RH) and the intrinsic viscosity (η) for modified PAM or HPAM were studied in aqueous solutions with different ionic strength at 298 K.The results showed that modified HM-HPAM has a stronger salt tolerance and the salt tolerance increase gradually from HM-HPAM1 to HM-HPAM3 because the monomers with the different steric hindrance would reduce the curliness of molecular chains and,consequently,improve the salt tolerance.So,introducing the steric hindrance monomer into polymer will increase the salt tolerance of the polymer and it is indicated that the simulated results agree with the experimental results very well.Furthermore,the radial distribution function (RDF) has been used to investigate the effect of NaCl on the hydration of the -COO-groups of the HM-HPAM from microscopic view.
Molecular dynamic simulation salt-tolerance hydrodynamic radius intrinsic viscosity radial distribution function
Lin Yao Panke Chen Qiang Yin Huixia Wang Bo Xiao Ge Zhou Bo Jiang
Key Laboratory of Green Chemistry and Technology, Ministry of Education, College of Chemistry, Sichu Research Center of Laser Fusion, China Academy of Engineering Physics, P.O.Box 919-987 Sichuan 62190
国际会议
南京
英文
141-147
2012-05-13（万方平台首次上网日期，不代表论文的发表时间）