Institute of Integrated Mineral Development – IPKON, Russian Academy of Sciences, Moscow, Russia:

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

The article reveals the efficiency of using computer technologies and chemical programs for investigating gold aggregates and gold flotation. Thus study is prepared using МОPAC 2016 program. The theoretical frameworks is constructed for 3D molecular modeling for Au, Au-containing minerals of the type of Au₂S₃, Au₂Te₃, Au₂S and AuAsS and promising compounds of phosphorus (V). The procedure is proposed for creating flotation aggregates, including the cluster of a mineral and sulfhydryl collectors connected with the Au-containing minerals. This for the first time allows generating an aggregate similar to the collector and mineral aggregation during real-time flotation. The author has determined the charges of some atoms of gold aggregates, values of dipoles, energy of orbitals, occupancy of s,p,d orbitals with electrons and energy of mineral clusters and flotation aggregates. Some organic aggregates with phosphorus (V) and heteroatoms S, N and O attached to the atom of gold in clusters of gold-containing minerals (docking process) is studied. For the new aggregates, including mixed aggregates, the predictive estimate of activity of efficient collectors (PEAEC) is obtained. The application of mixed agents of butyl xanthate and diisobutyl dithiophosphate to gold-bearing ore processing allows for gold-containing tailings to be produced without the second stage of cyanidation. The scope of the studies embraces agents the structure of which contains simultaneously two heteroatms M and S. Au atom was sequentially bonded with N or S atom, or two atoms AU were concurrently bonded to N and S; then, the bonding energy was determined. It has for the first time been experimentally proved that the bonding energy in functional group of xanthate and mineral cluster metal (gold) is unaltered under the elongation of the hydrocarbon chain of the reagent. Hydrophobic efficiency of the collecting agents of homologs only depends on properties and characteristics of the hydrocarbon chain of these reagents—sum of He-1.4 van der Waals interaction and 1.4 van der Waals interaction. For some Au aggregates, it is found that electrons can transfer backward, from metal to ligand. This strengthens bonding and reduces extra high negative charge of gold atom. Based on the value of PEAEC, the promising agents are selected for gold flotation toward enhanced gold recovery from ore.

1. Ryaboy V. I., Shipeta E. D. Dialkyldithiophosphates surface activity and hydrophobic properties effects upon copper arsenic-containing ores flotation. Obogashchenie Rud. 2016. No. 4. pp. 29–34. DOI: 10.17580/or.2016.04.05
2. Meretukov M. A. Gold: chemistry, mineralogy, metallurgy. Moscow : “Ore and Metals” Publishing House, 2008. 528 p.
3. Zakharov B. A., Meretukov M. A. Gold : refractory ores. Moscow : “Ore and Metals” Publishing House, 2013. 451 p.
4. Bekturganov N. S., Tusupbaev N. K., Erzhanova Zh. A., Bilyalova S. M., Esengaziev A. M. et al. Application of new collectors during the flotation of gold-bearing ores of Balazhal deposit. Progressive methods of concentration and complex processing of natural and technogenic mineral raw materials : materials of international meeting. Karaganda : LLC “Arko”, 2014. pp. 253–255.
5. Getman V. V., Gapchich A. O. About the prospects of use of dithiophosphinates as gold collectors during the flotation of gold-bearing arsenopyrite ores. Progressive methods of concentration and complex processing of natural and technogenic mineral raw materials : materials of international meeting. Karaganda : LLC “Arko”, 2014. pp. 183–186.
6. Bocharov V. A., Ignatkina V. A., Alekseychuk D. A. New scientific approaches to the selection of tracks sulfhydryl collectors, their mechanism of action and justification of the conditions of selective flotation of sulfide minerals. Gornyy informatsionno-analiticheskiy byulleten. 2013. No. 10. pp. 59–66.
7. Meretukov M. A., Sanakulov K. S., Zimin A. V., Arustamyan M. A. Gold: chemistry for metallurgists and dressers. Moscow : “Ore and Metals” Publishing House, 2014. 412 p.
8. Sovmen V. K., Guskov V. N., Belyy F. V., Kuzina Z. P., Drozdov S. V. et al. Processing of gold-bearing ores using bacterial oxidation in the conditions of the Far North. Novosibirsk : Nauka, 2007. 144 p
9. Physical and chemical basis of flotation theory. Ed.: B. N. Laskorin, L. D. Plaksin. Moscow : Nauka, 1983. 264 p.
10. Rai B., Sabne M., Pradip P. K. Computer-Aided design and optimization of industrial flotation circuits. Proceedings of the XXVII International Mineral Processing Congress – IMPC 2014. Santiago, 2014.
11. Chuanyao Sun, Fayu He, Guiye Wu, Longli Liu, Ming-an Wei. Computer-based study on QSAR of small molecule depressors for chalcopyrite. Proceedings of the XXVII International Mineral Processing Congress – IMPC 2014. Santiago, 2014.
12. Pshennikov A., Nehoroshev N., Voyloshnikova N., Solozhenkin P. The use of molecular modeling for process development of Au-Bi-Fe₃O₄ ores. Proceedings of the XXVII International Mineral Processing Congress – IMPC 2014. Santiago, 2014.
13. Solozhenkin P. M. Development of principles of the choice of reagents for flotation of antimony and bismuth minerals. Doklady Akademii nauk. 2016. Vol. 466, No. 5. pp. 559–562.
14. Solozhenkin Peter M., Solozhenkin Igor P., Ibragimova Olga I. Forecasting perspective reagents of flotation on basis skrining of chemical compounds. Proceeding of the XXVIII International Mineral Processing Congress. Quebec, 2016.
15. Hans-Dieter Holtje, Wolfgang Sippl, Didier Rognan, Gerd Folkers. Molecular Modeling: Basic Principles and Applications. Translated from English. Second edition. Moscow : Binom. Laboratoriya znaniy, 2013. 319 p.
16. Kayumov A. A., Ignatkina V. A., Bocharov V. A. Results study of flotation properties mono-mineral fractions of sulfides non-ferrous metals with using a variety of sulfhydryl collectors with different molecular structure. Gornyy informatsionno-analiticheskiy byulleten. 2016. No. 11. pp. 226–237.
17. McFadzean B., Castelyn D. G., O’Connor C. T. The effect of mixed thiol collectors on the flotation of galena. Minerals Engineering. 2012. Vol. 36-38. pp. 211–218.
18. McFadzean B., Mhlanga S. S., O’Connor C. T. The effect of thiol collector mixtures on the flotation of pyrite and galena. Minerals Engineering. 2013. Vol. 50-51. pp. 121–129.