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国家自然科学基金(2008E0049M)

作品数:2 被引量:11H指数:2
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Application of ionic liquids in hydrometallurgy of nonferrous metals被引量:10
2010年
Ionic liquids as green solvents have shown important application in the extraction and separation of nonferrous metals.The new application perspective,the important fundamental and the applied studies of the extraction and separation of nonferrous metals in ionic liquids,including the dissolution and corrosion of metal and metal oxide,hydrometallurgy of chalcopyrite and metallic oxidized ore,and extraction and separation of metal ions,are introduced.
田国才李坚华一新
关键词:有色金属湿法冶金绿色溶剂金属腐蚀
Quantum chemical aided molecular design of ionic liquids as green electrolytes for electrodeposition of active metals被引量:2
2009年
Quantum chemical calculation was used to estimate the reduction potentials of 25 organic cations and the oxidation potentials of 11 anions.This information was used to select promising cations and anions for the preparation of ionic liquids as green electrolytes for electrodeposition of active metals.The reasonable linear correlations between the lowest unoccupied molecular orbital(LUMO)energies and the reduction potentials of cations,and the linear relationships between the oxidation potentials and the highest occupied molecular orbital(HOMO)energies of anions were obtained.The orders of electrochemical stability for cations and anions being obtained agree well with the experimental measurements.The suitable ionic liquids with sufficiently wide electrochemical windows for electrodeposition of active metals are suggested to be[Emim]NTf2,[Bmim]NTf2,[Bmim]BF4, [Bmim]PF6,[Bmim]CTf3,[Emim]BF4,[Emim]PF6,[Emim]CTf3..
田国才周雪娇李坚华一新
关键词:量子化学计算液体电解质电活性氧化还原电位
Molecular dynamics simulation study on the spectrum and dynamics of water in[Emim]BF4 ionic liquids
<正>The microstructure,IR spectrum and rotational dynamics of aqueous solutions of ionic liquids were studied b...
TIAN,Guocai *
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