Microscopic evolution of the conformation for polyamidoxime molecular chains under various uranium adsorption conditions

Among uranium extraction materials, amidoxime polymers are very promising. But the conformation of molecular chains is not well understood. Herein, conformation behavior of polyamidoxime (PAO) was analyzed via molecular dynamics. In water, the conformation of PAO is extended, its radius of gyration...

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Bibliographic Details
Published in:Journal of radioanalytical and nuclear chemistry 2024-11, Vol.333 (11), p.5465-5476
Main Authors: Peng, Hao, Li, Xiaoyu, Li, Yuanli, Lv, Lina, Du, Zhiyuan, Chi, Fangting
Format: Article
Language:English
Subjects:
Adsorption
Chemistry
Chemistry and Materials Science
Diagnostic Radiology
Hadrons
Heavy Ions
Inorganic Chemistry
Molecular chains
Molecular conformation
Molecular dynamics
Nuclear Chemistry
Nuclear Physics
Physical Chemistry
Polyacrylonitrile
Uranium
X-ray scattering
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Summary:Among uranium extraction materials, amidoxime polymers are very promising. But the conformation of molecular chains is not well understood. Herein, conformation behavior of polyamidoxime (PAO) was analyzed via molecular dynamics. In water, the conformation of PAO is extended, its radius of gyration ( R g ) is 12.5 Å. However, the R g of polyacrylonitrile is merely 6.2 Å. The PAO conformation collapses due to uranyl and sodium ions. Moreover, small angle X-ray scattering showed that R g from 11.6 to 11.0 nm after uranium adsorption. Overall, this work will be beneficial to the design of new uranium adsorbents.
ISSN:0236-5731
1588-2780
DOI:10.1007/s10967-024-09572-w