期刊论文

Wang, R

英文

Journal of Solid State Chemistry

0022-4596

2024

331

124542

10.1016/j.jssc.2023.124542

CRediT authorship contribution statement Rui Wang: Conceptualization, Data curation, Formal analysis, acquisition, Investigation, Methodology, Project administration, Software, Supervision, Writing – original draft, Writing – review & editing. Xuguang Zhou: Formal analysis. Wensheng Zhang: Formal analysis, acquisition. Jiayuan Ye: Formal analysis, acquisition. Jingsong Wang: Formal analysis, acquisition.

本校为其他机构

Geopolymer is an amorphous cementitious material produced by geopolymerization using minerals or industrial waste as the main raw material under the action of activators. It can be used for safe treatment of heavy metal and radioactive pollution. This study applied molecular dynamics simulation to investigate the transport behaviour of uranyl nitrate in nanochannel of geopolymer, and focused on the influence of changes in the Si/Al ratio of geopolymer on the adsorption and diffusion of ions and water molecules. The simulation results described by density distribution, radial distribution funct...