QUANTUM-CHEMICAL SIMULATION OF COPPER OXIDE NANOPARTICLES STABILIZATIO
https://doi.org/10.37493/2307-910X.2021.1.4
Abstract
The article presents the results of quantum-chemical simulation of the copper oxide nanoparticles stabilization process with various stabilizers. The simulation was carried out using the QChem software and the IQmol molecular editor. Quantum-chemical models of CuO-stabilizer molecular systems were obtained. Hydroxymethylcellulose, hydroxyethylcellulose, cetyltrimethylammonium bromide, polyvinylpyrrolidone, chitosan, and hyaluronic acid were used as stabilizers. Analysis of the data obtained showed that the most energetically favorable (E = -3557, 94 kcal/mol) and stable (AE = 0.260 eV) molecular system was the "CuO-hyaluronic acid" system.
About the Authors
D. M. Remizov
North-Caucasus Federal University
Russian Federation
Russian Federation
A. A. Gvozdenko
North-Caucasus Federal University
Russian Federation
Russian Federation
A. V. Blinov
North-Caucasus Federal University
Russian Federation
Russian Federation
V. V. Raffa
North-Caucasus Federal University
Russian Federation
Russian Federation
A. B. Golik
North-Caucasus Federal University
Russian Federation
Russian Federation
D. G. Maglakelidze
North-Caucasus Federal University
Russian Federation
Russian Federation
A. A. Blinova
North-Caucasus Federal University
Russian Federation
Russian Federation
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Review
For citations:
Remizov D.M., Gvozdenko A.A., Blinov A.V., Raffa V.V., Golik A.B., Maglakelidze D.G., Blinova A.A. QUANTUM-CHEMICAL SIMULATION OF COPPER OXIDE NANOPARTICLES STABILIZATIO. Modern Science and Innovations. 2021;(1):29-34. https://doi.org/10.37493/2307-910X.2021.1.4
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