Article
Article name Study of the Possibility of Using Fulvic Acid for the Flotation Extraction of Vanadium Based on the Calculation of Molecular Descriptors
Authors Medyanik N.L. Doctor of Technical Sciences, Professor, Head of the Chemistry Department, medyanikmagnitka@mail.ru
Smirnova A.V. Senior Lecturer, Chemistry Department, a-kremneva@mail.ru
Karelina Y.A. Candidate of Economic Sciences, Associate Professor, Assistant Professor, Chemistry Department, 96bessonova74@mail.ru
Baskov V.A. Senior Laboratory Assistant, Chemistry Department, baskov-vvvl@mail.ru
Bibliographic description Medyanik N. L., Smirnova A. V., Karelina Yu. A., Baskov V. A. Studying of the Possibility of Using Fulvic Acid for Flotation Extraction of Vanadium Based on the Calculation of Molecular Descriptors // Transbaikal State University Journal. Vol. 30, no. 2. P. 72–81. DOI: 10.2109/2227-9245-2024-30-2-72-81.
Category Subsoil Use, Mining Sciences
DOI 622.765.061:669.292.3
DOI 10.2109/2227-9245-2024-30-2-72-81
Article type Original article
Annotation The relevance of the work lies in the need to process acidic productive solutions containing the valuable component vanadium in the form of vanadyl cations. The object of study in this work is fulvic acid (FulvAc), and the subject is the possibility of its use as a flotation reagent-collector of vanadyl cations. The purpose of the work is to study the possibility of flotation extraction of vanadium from acidic productive solutions. To achieve the goal, the following tasks are set: selection of a selectively acting collecting reagent in relation to a valuable component based on the \"structure-property / activity-property\" principle; carrying out molecular calculations, including structural, physicochemical and quantum chemical parameters of a new reagent of natural origin - fulvic acids; application of a software package for modeling and visualization of \"substrate-reagent\" systems; studying the mechanism of interaction between FulvAc molecules and the substrate [VO(H2O)4]2+; implementation of laboratory flotation testing of the collecting reagent. The following special research methods are used in the work: chemical modeling and analysis using The Cambridge Crystallographic Data Center (CCDC) and Avogadro software systems. Calculations of molecular descriptors of flotation activity of a new organic reagent FulvAc in relation to the extractable valuable component vanadium (metal substrate), which quantitatively allow to evaluate the possibility of using FulvAc for flotation extraction of vanadium substrate from solutions based on the principle of \"structure-property/activity-property\", are presented. The calculation of molecular descriptors carried out in this work has showed that FulvAc due to phenolic, hydroxyl, carbonyl and carboxyl groups are able to form chelate complexes with vanadium cations, oxygen heteroatoms cause chemisorption centers. Vanadium in acidic productive solutions is in the form of vanadyl cations (VO)2+ and aquavanadylcations [VO(H2O)4]2+, which show the properties of complexing agents. Modeling of flotosystems \"substrate-reagent\" formation with the use of The Cambridge Crystallographic Data Center software is carried out. The possibility of formation of stable substrate-reagent flotation system \"(VO)2+ / [VO(H2O)4]2+– FulvAc\" by charge-controlled mechanism has been proved.
Key words vanadium, vanadyl cation, fulvic acid, acidic productive solutions, collector reagent, \"structure-property/activity-property\" principle, molecular descriptors, charge-controlled mechanism, chemical modeling, flotation
Article information
References 1. Avvakumova N. P., Krivopalova M. A., Glubokova M. N., Fomin I. V. Physico-chemical properties of barium fulvates and zincapeloids. Izvestiya Samara Scientific Center of the Russian Academy of Sciences, vol. 16, no. 5, pp. 1039–1041, 2014. (in Rus.) 2. Atmadzhidi A. S., Goncharov K. V. On the possibility of obtaining TiO2 and V2O5 from titanium magnetite concentrate with a high content of titanium dioxide. Scientific potential of youth and technical progress: materials of the IV All-Russian Scientific and Practical Conference. Saint Petersburg: Individual entrepreneur Zhukova Elena Valeryevna, 2021. Pp. 43–44. (in Rus.) 3. Bendersky N. S., Kudelina O. M., Ganzgorn E. V., Safronenko A. V. Fulvic acid – a biologically active additive or medicine? Kuban Scientific Medical Bulletin, vol. 27, no. 3, pp. 78–91, 2020. (in Rus.) 4. Brovarova O. V. Transformation of humus substances of sod-podzolic soil under agrogenic influences. Fertility, no. 6, pp. 17–22, 2021. (in Rus.) 5. Zavarzina A. G., Kravchenko E. G., Konstantinov A. I., Perminova I. V., Chukov S. N., Demin V. V. Comparison of properties of preparations of humic acids isolated from soils by alkaline extraction in the presence and absence of oxygen. Soil Science, no. 8, pp. 910–922, 2019. (in Rus.) 6. Medyanik N. L., Smirnova A. V., Bessonova Yu. A., Kolyada L. G. Physico-chemical aspects of acid leaching of iron concentrate of titanomagnetite ore of the Volkovsky deposit. Ferrous Metals, no. 6, pp. 76–81, 2023. (in Rus.) 7. Medyanik N. L., Smirnova A. V., Kolyada L. G., Bessonova Yu. A. The possibility of chemical extraction of vanadium and titanium from iron concentrate of titanomagnetite ore. Transbaikal State University Journal, vol. 28, no. 7. pp. 44–51, 2022. (in Rus.) 8. Patent No. 2684462 C1 Russian Federation, IPC C22B 34/12, C22B 34/22, C21B 11/00. A method for converting and separating vanadium, titanium and iron from a vanadium-titanium-iron-based concentrate in one stage: No. 2017103146: application 31.01.2017: published 09.04.2019 / T. Qi, D. Chen, Yilinyun [et al.]; the applicant is the INSTITUTE OF PROCESSES ENGINEERING, CHINA ACADEMY OF SCIENCES. (in Rus.) 9. Popova T. V., Shcheglova N. V., Smotrina T. V. Features of the formation of oxovanadium(IV) malonate complexes in aqueous solutions // Prospects for the introduction of innovative technologies in medicine and pharmacy: collection of articles V. All-Russian scientific and practical conference with international with participation / under the general editorship of S. G. Mardanly, V. V. Pomazanov, V. A. Kiseleva. Orekhovo-Zuyevo: State University of Humanities and Technology. 2018. Pp. 184–191. (in Rus.) 10. Remizova L. I. Directions of development of the world raw material base of titanium. Exploration and protection of the subsoil, no. 6, pp. 64–74, 2020. (in Rus.) 11. Tusupbaev S. N., Kudaibergenova G. M. Calculation of standard electrode potentials for electrochemical reduction of vanadium compounds: selection of density functional. Bulletin of the Treasury. The \"Chemical\" Series, no. 1, pp. 14–21, 2020. (in Rus.) 12. Clare F. Macrae, Ioana Sovago, Simon J. Cottrel etc. Mercury 4.0: from visualization to analysis, design and prediction. Journal of the Applied Crysallography, no. 53, pp. 226–235, 2020. (In Eng.) 13. Costa Pessoa J. Thirty years through vanadium chemistry. Journal of Inorganic Biochemistry, vol. 147, pp. 4–24, 2015. (In Eng.) 14. Guglielmo Albani, Luca Schio, Francesco Goto, Alberto Calloni, Alessio Orbelli Biroli, Alberto Bossi, Francesco Melone, Simona Achilli, Guido Fratesi, Carlo Zucchetti, Luca Floreano, Gianlorenzo Bussetti. Ordered assembly of non-planar vanadyltetraphenylporphyrins on ultra-thin iron oxide. Royal Society of Chemistry, pp. 17077–17087, 2022. (In Eng.) 15. Karmakar M. et al. An overview on the synthesis, structure, and application of vanadyl complexes with hydrazonic acid ligands based on salicylaldehyde or its derivatives. Inorganica Chimica Acta, pp. 121969, 2024. (In Eng.) 16. Mandeep Kaur, Raj Kaushal. Synthesis and in-Silico Molecular Modelling, DFT Studies, Antiradical and Antihyperglycemic Activity of Novel Vanadyl Complexes Based on Chalcone Derivatives. Journal of Molecular Structure, pp. 132–176, 2021. (In Eng.) 17. Nangamso Nathaniel Nyangiwe. Modelling the interactions of engineered nanoparticles with natural organic matter using in silico techniques. Submitted in fulfilment of the requirements for the degree Doctor of Philosophy in the Faculty of Engineering, Built Environment and Information Technology. University of Pretoria, pp. 120–128, 2020. (In Eng.) 18. Sonika Sharma, Debasish Das, Biswajit Sadhy, Neeraj Sharma. Synthesis, characterization and biological activity of oxidovanadium (IV) hydroxamate complexes supported by density functional theory. Inorganic Chemistry, 2021. (In Eng.) 19. Upward momentum builds in vanadium market. 2021. Web. 12.01.2024. http://www.argusmedia.com/en/news/2187258-upward-momentum-builds-in-vanadium-market. (In Eng.)
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