Molecular dynamics and density functional theory simulations of cesium and strontium adsorption on illite/ smectite
Kun Zhang, Hailong Li, Zhanguo Li, Qi Sheng, Shengyang Cui, Wenzhuo Chen, Shanqiang Wang
Topics & Concepts
IlliteAdsorptionChemistryDensity functional theoryCaesiumClay mineralsStrontiumMolecular dynamicsIonInorganic chemistryCrystallographyPhysical chemistryMineralogyComputational chemistryOrganic chemistryNuclear materials and radiation effectsChemical Synthesis and CharacterizationBauxite Residue and Utilization