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Название Molecular simulation of thionocarbamates and their interaction with copper and pyrite mineral matrix
Автор Solozhenkin P. М.
Информация об авторе

Institute of Comprehensive Exploitation of Mineral Resources of the RAS (Russia):

Solozhenkin P. М., Doctor of Engineering Sciences, Chief Researcher, solozhenkin@mail.ru

Реферат

 

The results of simulation of thionocarbamates interaction with sulfide copper-and-iron-bearing minerals, are presented. Thionocarbamates are effective collectors of sulfide copper-bearing minerals, but are weak regarding floating of pyrite, which permits to efficiently separate these minerals. A method was developed for simulation of matrix of covelline, bornite, chalcopyrite and pyrite, as well as other sulfide minerals. Molecular level models of thionocarbamates, containing electron-accepting and electron-donating radicals, bound with nitrogen nuclei, were constructed. A conclusion is drawn with regard to thionocarbamates structure features’ effect upon their interaction with minerals. It is shown, that introduction of electron-accepting radical into thionocarbamate molecule increases its attachment strength on minerals, if compared with thionocarbamate containing electron-donating substituent, which is proved by the calculated values of their electron energy. Predictive estimate of О-butyl-N-benzyl-thionocarbamate and О-butyl-N-ethyl-thionocarbamate activity in reactions with copper minerals and pyrite is given. It is shown, that thionocarbamates’ attachment strength on copper minerals is noticeably higher, than on pyrite. This conclusion is also corroborated by d-orbit population values for copper and iron.

 

Ключевые слова Copper minerals, molecular simulation, thionocarbamate, MOPAC 2012 software, collectors activity prediction
Библиографический список

 

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