The molecular dynamics simulation method was adopted to study the transient characteristics of Li^+,CO3^2-,and SO4^2- in Na^+,K^+,Li^+,Cl^-,and SO4^2-/H2O system.The composition of Na^+,K^+,Li^+,Cl^-,SO4^2- and CO3^2-...The molecular dynamics simulation method was adopted to study the transient characteristics of Li^+,CO3^2-,and SO4^2- in Na^+,K^+,Li^+,Cl^-,and SO4^2-/H2O system.The composition of Na^+,K^+,Li^+,Cl^-,SO4^2- and CO3^2- was selected to optimize the initial structural model and conduct dynamic simulation.The mean azimuth shift and diffusion coefficient of Li^+,CO3^2-,and SO4^2- in the system,the radial distribution function and potential energy between Li^+ and -OW,SO4^2- and -OW as well as CO3^2- and -OW,and the dielectric constant of hydrogen bond were expounded and analyzed.At the same time,the Li enrichment behavior in the evaporation process of salt lake brine was analyzed based on the simulated data.The results show that the simulation results are in good agreement with the experimental values,which verifies that,compared with other ions,the crystallization of Li^+ and SO4^2- occurs earlier after reaching saturation.展开更多
Radioactive iodine is a notorious pollutant in gas radioactive nuclear waste due to its radiation hazard, volatility, chemical toxicity, and high mobility. Therefore, developing a material with high efficiency-specifi...Radioactive iodine is a notorious pollutant in gas radioactive nuclear waste due to its radiation hazard, volatility, chemical toxicity, and high mobility. Therefore, developing a material with high efficiency-specific iodine capture is significant. Covalent organic framework(COF) has attracted significant attention as a new crystalline porous organic material. Due to its large specific surface and high chemical stability, it is an excellent alternative to adsorbents. Herein, we report a chemically stable two-dimensional COF(termed JUC-609) with specific adsorption of iodine. Adsorption experiments show that JUC-609 has an excellent iodine adsorption capacity as high as 5.9 g/g under 353 K and normal pressure condition, and iodine adsorption after multiple cycles is still maintained. Our study thus promotes the potential application of COFs in the field of environment-related applications.展开更多
基金Funded by the Innovation Academy for Green Manufacture,CAS“IAGM2020C01”the Key R&D and the Transformation Projects in Qinghai Province(2019-GX-167)CAS“Light of West China”。
文摘The molecular dynamics simulation method was adopted to study the transient characteristics of Li^+,CO3^2-,and SO4^2- in Na^+,K^+,Li^+,Cl^-,and SO4^2-/H2O system.The composition of Na^+,K^+,Li^+,Cl^-,SO4^2- and CO3^2- was selected to optimize the initial structural model and conduct dynamic simulation.The mean azimuth shift and diffusion coefficient of Li^+,CO3^2-,and SO4^2- in the system,the radial distribution function and potential energy between Li^+ and -OW,SO4^2- and -OW as well as CO3^2- and -OW,and the dielectric constant of hydrogen bond were expounded and analyzed.At the same time,the Li enrichment behavior in the evaporation process of salt lake brine was analyzed based on the simulated data.The results show that the simulation results are in good agreement with the experimental values,which verifies that,compared with other ions,the crystallization of Li^+ and SO4^2- occurs earlier after reaching saturation.
基金supported by the National Natural Science Foundation of China(Nos.22025504,21621001,21390394)the″111″Project of China(Nos.BP0719036,B17020)+1 种基金the China Postdoctoral Science Foundation(Nos.2020TQ0118,2020M681034)the Program for JLU Science and Technology Innovative Research Team,China.
文摘Radioactive iodine is a notorious pollutant in gas radioactive nuclear waste due to its radiation hazard, volatility, chemical toxicity, and high mobility. Therefore, developing a material with high efficiency-specific iodine capture is significant. Covalent organic framework(COF) has attracted significant attention as a new crystalline porous organic material. Due to its large specific surface and high chemical stability, it is an excellent alternative to adsorbents. Herein, we report a chemically stable two-dimensional COF(termed JUC-609) with specific adsorption of iodine. Adsorption experiments show that JUC-609 has an excellent iodine adsorption capacity as high as 5.9 g/g under 353 K and normal pressure condition, and iodine adsorption after multiple cycles is still maintained. Our study thus promotes the potential application of COFs in the field of environment-related applications.
