Abstract
The interaction of various classes of organic compounds with the surface of Kuznetsk Basin gas coals is studied. The interaction of organic molecules with the coal surface is analyzed on the basis of chemical, physicochemical, and quantum chemical characteristics. Analysis of the chemical and structural composition coal from the Kirov mine and also the quantum chemical characteristics of compounds simulating the structure of the coal’s organic mass indicates that electrophilic adsorption centers are present on the coal surface. These centers are formed by redistribution of the electron density to the more electronegative oxygen atoms. The hydration of the coal surface is due to adsorption of water molecules on electrophilic centers of the coal’s organic mass. It is established that compounds more nucleophilic than water molecules may be effective flotation agents. By analysis of the quantum chemical characteristics of organic compounds, their ability to render surfaces hydrophobic, and also their adsorption and flotation properties, a correlation is established between the electronegativity of the compounds and the physicochemical characteristics of the coal surface.
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Mullina, E.R., Mishurina, O.A., Yershova, O.V. et al. Effectiveness of Organic Compounds in Coal Flotation: A Quantum Chemical Approach. Coke Chem. 65, 76–79 (2022). https://doi.org/10.3103/S1068364X22020028
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DOI: https://doi.org/10.3103/S1068364X22020028