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Название Сomputer visualization of the structure and operating mechanism of a new class of organophosphorus collectors
Автор Kurkov A. V., Pastukhova I. V.
Информация об авторе

Leading Scientific-research Institute of Chemical Technology, Moscow, Russia

A. V. Kurkov, Head of the Project Office, e-mail: avkurkov@vniiht.ru
I. V. Pastukhova, Leading Researcher

Реферат

There are shown the results of studying the structure and mechanism of action of new phosphorus reagent — phosphorylated neonol (FN) by computer visualization method, modeling its behavior in the processes of enrichment of fluorite and rare metal ores. The presence of long hydrocarbon chain, several functional groups of different chemical nature, in phosphorus reagent molecule determines its unique properties: good solubility in water, on the one hand, and the high hydrophobicity at the flotation of minerals, on the other hand, the ability to form associates in the surface layer and change their conformations at different effects (pH, adding other organic and inorganic compounds in the pulp). It is shown that hydrogen bonds, stacking and hydrophobic interactions play a crucial role in the formation of colloidal associates, their shape, size and stability. The mechanism of interaction of phosphorylated neonol with the mineral surface is different: it is determined by the type of bonding between atoms in the mineral. For ores, in the minerals of which the ionic bonds (fluorite) are prevalent, the interaction is mainly performed with the anionic form of a collector: it is fixed by chemisorption. For ores, in the minerals of which the covalent bonds are prevalent, the collector is fixed by the physical adsorption of oxygen atoms of OE groups and the phosphoryl group. When interacting with columbite in an acidic medium, the formation of cyclic (ring) products is possible, such as crown ether with a perpendicular orientation of the stacking interactions. The control of the process of formation of associates can be performed by variation of the chemical structure of the collector, the nature and location of functional groups in it, as well as the adding of additional reagents adjusting the interaction of the collector with the surface and ensuring the optimal complementarity with conformational, electronic and electrostatic changes of properties of the collector.

Ключевые слова Organophosphorus compounds, structure, mechanism of action, computer simulation, intermolecular interactions, flotation, supramolecular chemistry
Библиографический список

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Language of full-text русский
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