NDLI: Molecular design of modified polyacrylamide for the salt tolerance

Content Provider	Springer Nature Link
Author	Yao, Lin Chen, Panke Ding, Bin Luo, Jianhui Jiang, Bo Zhou, Ge
Copyright Year	2012
Abstract	In our work, three kinds of functional monomers were selected to modify polyacrylamide (PAM) or partially hydrolyzed polyacrylamide (HPAM) by molecular dynamics simulation so as to achieve the stronger salt-tolerance of modified HM-HPAM. The radius of gyration (R g), the hydrodynamic radius (R H), the effective length (L ef) 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 increases gradually from HM-HPAM1 to HM-HPAM3 because the monomers with 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 –COOˉ groups of the HM-HPAM from microscopic view. Figure The effect of different structures of the HM-HPAM on the salt-tolerance
Starting Page	4529
Ending Page	4545
Page Count	17
File Format	PDF
ISSN	16102940
Journal	Journal of Molecular Modeling
Volume Number	18
Issue Number	9
e-ISSN	09485023
Language	English
Publisher	Springer-Verlag
Publisher Date	2012-05-29
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Hydrodynamic radius Intrinsic viscosity Molecular dynamic simulation Radial distribution function Salt-tolerance Computer Applications in Chemistry Characterization and Evaluation of Materials Molecular Medicine Computer Application in Life Sciences Theoretical and Computational Chemistry
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Physical and Theoretical Chemistry Computational Theory and Mathematics Catalysis Inorganic Chemistry Computer Science Applications

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