Yao, G, Zhao, J, Haruna, MA et al. (1 more author) (2021) Molecular dynamics insight into viscosity reduction of hydrolysed polyacrylamide by using carbon quantum dots. RSC Advances, 11 (42). pp. 26037-26048. ISSN 2046-2069
Abstract
Hydrolysed polyacrylamide (HPAM) is widely used in many industrial fields where its rheological properties play a leading role. Recent discovery of the reduction of HPAM's viscosity by adding carbon quantum dots (CQDs), however, is controversial to the established theories. By using all atom molecular dynamics simulation with an OPLS-AA force field, this study aims to provide detailed molecular insight into such an uncommon phenomenon. The dynamic structures of the HPAM chain in the presence or absence of CQDs were clearly captured from the molecular aspect. The results reveal that the adsorption of CQD reduces the gyration radius of the HPAM chain, and it is the corresponding hydration effect that leads to the reduction of the viscosity. The amide rather than the carboxylate group along the HPAM chain is dominant in terms of the interaction with the CQDs, and the driven atoms depend on the surface where the polymer is adsorbed.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2021 The Author(s). Published by the Royal Society of Chemistry. This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemical & Process Engineering (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 24 Aug 2021 11:02 |
Last Modified: | 24 Aug 2021 11:02 |
Status: | Published |
Publisher: | Royal Society of Chemistry |
Identification Number: | 10.1039/d1ra03935k |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:177364 |
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