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Molecular dynamics study on the adsorption and modification mechanism of polymeric sand-fixing agent
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Huang, Wei, Geng, Xueyu , Li, Jing, Zhou, Cuiying and Liu, Zhen (2022) Molecular dynamics study on the adsorption and modification mechanism of polymeric sand-fixing agent. Polymers, 14 (16). 3365. doi:10.3390/polym14163365 ISSN 2073-4360.
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WRAP-Molecular-dynamics-study-on-the-adsorption-and-modification-mechanism-of-polymeric-sand-fixing-agent-Huang-2022.pdf - Published Version - Requires a PDF viewer. Available under License Creative Commons Attribution 4.0. Download (2769Kb) | Preview |
Official URL: http://dx.doi.org/10.3390/polym14163365
Abstract
Chemical sand-fixing technology has shown good potential in preventing desertification, but the effect is determined by materials. In this paper, the adsorption behavior of quartz and six common polymer sand-fixing agents under dry conditions was studied by molecular dynamics method. The results show that all polymers could be adsorbed on the surface of quartz and their functional groups play an important role in the adsorption process. Compared with other materials, the binding energy and the number of hydrogen bonds of PAA-quartz composites were improved by 30.7–65.6% and 8.3–333.3%, respectively. It was found that the number of hydrogen bonds formed under the unit molecular was positively correlated with the mechanical properties of the improved sandy soil. This study provides an accurate, efficient and inexpensive qualitative evaluation method for the curing effect of sand fixers, which will assist in the screening and development of new high performance sand fixers.
Item Type: | Journal Article | ||||||||||||
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Subjects: | Q Science > QP Physiology T Technology > TA Engineering (General). Civil engineering (General) |
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Divisions: | Faculty of Science, Engineering and Medicine > Engineering > Engineering | ||||||||||||
Library of Congress Subject Headings (LCSH): | Molecular dynamics , Polymeric composites , Polymers -- Absorption and adsorption, Sandy soils | ||||||||||||
Journal or Publication Title: | Polymers | ||||||||||||
Publisher: | M D P I AG | ||||||||||||
ISSN: | 2073-4360 | ||||||||||||
Official Date: | 18 August 2022 | ||||||||||||
Dates: |
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Volume: | 14 | ||||||||||||
Number: | 16 | ||||||||||||
Number of Pages: | 11 | ||||||||||||
Article Number: | 3365 | ||||||||||||
DOI: | 10.3390/polym14163365 | ||||||||||||
Status: | Peer Reviewed | ||||||||||||
Publication Status: | Published | ||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||||||
Date of first compliant deposit: | 7 September 2022 | ||||||||||||
Date of first compliant Open Access: | 8 September 2022 | ||||||||||||
RIOXX Funder/Project Grant: |
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