Abstract
The activity of reagents in coal flotation may be assessed on the basis of quantum-chemical descriptors. Semiempirical calculations indicate that hard electrophilic centers in the coal surface correspond to carbon atoms with maximum positive charge. The oxygen atoms are nucleophilic centers of complex terephthalates, which are characterized by maximum negative charges and therefore able to form donoracceptor complexes with electrophilic sections of the coal surface. The reaction corresponds to a charge-controlled mechanism.
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Original Russian Text © N.L. Medyanik, 2011, published in Koks i Khimiya, 2011, No. 4, pp. 9–13.
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Medyanik, N.L. Quantum-chemical descriptors and the assessment of surface activity in coal flotation. Coke Chem. 54, 103–107 (2011). https://doi.org/10.3103/S1068364X1104003X
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DOI: https://doi.org/10.3103/S1068364X1104003X