Electrophilic and Nucleophilic Modifiers as a Factor of Formation of Lipophilic Properties of Surface-Modified Materials
| Autor: | Ngo Q. Khanh, Vadim R. Karibov, Diana T. Musina |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
010302 applied physics
Materials science Mechanical Engineering Surface modified 0211 other engineering and technologies 02 engineering and technology Condensed Matter Physics 01 natural sciences Nucleophile Mechanics of Materials Computational chemistry Quantum chemical modelling 0103 physical sciences Electrophile General Materials Science 021102 mining & metallurgy |
| Zdroj: | Materials Science Forum. 1040:94-100 |
| ISSN: | 1662-9752 |
| Popis: | Stabilization of the functional properties of dispersed and compact solid metals, as well as regulation of their reactivity, improvement of water-repellent, antifriction and anti-corrosion properties by creating the protective films on the surface is an urgent problem of obtaining resource-saving materials. Previously, the research conducted at REC "Nanotechnology" of Mining University proved that chemisorption of ethylhydridesiloxane vapors together with cationic surfactants based on quaternary ammonium compounds has a beneficial effect on the water-repellent properties of metals. In order to obtain the physicochemical substantiation of the effect of hydrophobization of the surface of modified dispersed metals for the first time, the study of the electrophilic-nucleophilic properties of the active substances of the surface modifiers of dispersed and compact metals was carried out using the methods of quantum-chemical modeling in HyperChem software package. The dipole moment, energy of the highest occupied and the lowest unoccupied molecular orbitals, electrophilic-nucleophilic properties were determined. The series of enhancement of nucleophilic/electrophilic properties and dipole moment for modifiers were obtained. The donor-acceptor properties, the differences in the characteristics of the molecules of alkamone (A), triamone (T) and hydrophobic silicone organic liquid were quantitatively and qualitatively established. The patterns of the formation of hydrophobic properties of the surface during the layering of molecules of ammonium and organosilicon compounds with different electrophilic-nucleophilic properties on dispersed metals have been established. Recommendations for the use of modifiers for the production of high - and superhydrophobic materials are proposed. |
| Databáze: | OpenAIRE |
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