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| FRONTIER MOLECULAR ORBITAL THEORY CONSIDERATION FOR ELECTRON TRANSFER PROCESS ACROSS SULFIDE MINERAL-SOLUTION INTERFACE |
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| DOI： |
| KeyWord:Frontier molecular orbital theory Induced flotation Surface electron structure of sulfide mineral |
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Sun Shuiyu;Long Xiangyun(Central South University of Technology)
Wang Dianzuo(Beijing General Research Institute of Nonferrous Metals)
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| Abstract: |
| The surface electron structures on the surfaces of galena and pyrite,net charge density of atom and energy of frontier molecular orbital were obtained using CNDO/2 calculation.The micro-mechanism of electron transfer across sulfide mineral-solution interface were discussed with frontier molecular orbital theory.The self-induced flotation of sulfide mineral is associated with the electron transfer from the mineral surface to molecular oxygen.The Na_2S-induced flotation deals with the transfer of electron from HS-ion to the mineral surface,then further to molecular oxygen.The results have shown that the galena surface possesses higher electron energy level and easily donates electron,and hence the self-induced flotation is better.In the case of pyrite,the surface has lower electron energy level and easily accepts electron,and hence the Na2S-induced flotation is better. |
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