中国有色金属学报(英文版)
Transactions of Nonferrous Metals Society of China
Vol. 6 No. 1 March 1996 |
(1.Department of Environmental Engineering,Tsinghua University,Bei jing 100084;
2.Institute of Chemical Metallurgy, Chinese Academy of Sciences,Bei jing 100080)
Abstract:The frontier orbital energies of montmorillonite molecule and[Me(H2O)6]2+ (Me=Cu2+,Zn2+,Co2+ and Ni2+)were calculated by INDO method. Results showed that the chemical inter-action between montmorillonite molecule and [Cu(H2O)6]2+ or [Zn(H2O)6]2+ was possible. The exper-imental results of powder X-ray diffraction and isothermal adsorption supported the above-mentioned calculation results.
Key words: montmorillonite INDO method frontier orbital energies isothermal adsorption powder X-ray diffraction heavy metal cations