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 ( 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.