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,
Smirnova A.V. Senior Lecturer, Chemistry Department,
Karelina Y.A. Candidate of Economic Sciences, Associate Professor, Assistant Professor, Chemistry Department,
Baskov V.A. Senior Laboratory Assistant, Chemistry Department,
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
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Full articleStudy of the Possibility of Using Fulvic Acid for the Flotation Extraction of Vanadium Based on the Calculation of Molecular Descriptors