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

被引：0
作者：
Peng, Hao [1 ,2 ]
Li, Xiaoyu [1 ,2 ]
Li, Yuanli [1 ]
Lv, Lina [1 ]
Du, Zhiyuan [1 ,2 ]
Chi, Fangting [1 ,2 ]
机构：
[1] Southwest Univ Sci & Technol, Fundamental Sci Nucl Wastes & Environm Safety Lab, Mianyang 621010, Peoples R China
[2] Southwest Univ Sci & Technol, Sch Natl Def Sci & Technol, Mianyang 621010, Peoples R China
来源：
JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY | 2024年 / 333卷 / 11期
基金：
中国国家自然科学基金;
关键词：
Uranium extraction; Conformation behavior; Molecular dynamics; Small angle X-ray scattering; Adsorption; SMALL-ANGLE SCATTERING; RECOVERY; DYNAMICS; POLYACRYLONITRILE; EXTRACTION; SIMULATION; SURFACE; U(VI);
D O I：
10.1007/s10967-024-09572-w
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
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 (Rg) is 12.5 & Aring;. However, the Rg of polyacrylonitrile is merely 6.2 & Aring;. The PAO conformation collapses due to uranyl and sodium ions. Moreover, small angle X-ray scattering showed that Rg from 11.6 to 11.0 nm after uranium adsorption. Overall, this work will be beneficial to the design of new uranium adsorbents.
引用
收藏
页码：5465 / 5476
页数：12
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