Electrophilic-nucleophilic properties as a factor in the formation of antifriction and hydrophobic properties of surface-modified metals with ammonium and organosilicon compounds

Abstract

Stabilisation of the functional properties of dispersed and compact metals, as well as the 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 in relation to obtaining new materials. Previously, research conducted at REC “Nanotechnology” of the St. Petersburg Mining University proved that chemisorption of ethylhydridesiloxane vapours together with surfactants based on quaternary ammonium compounds has a beneficial effect on the water-repellent properties of metals. In order to obtain the physicochemical mechanism of the hydrophobisation of the surface of modified dispersed metals for the firsttime, the study of the electrophilic-nucleophilic properties of the active substances of the surface modifiers of metals was carried out using the methods of quantum-chemical modelling using 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  ucleophilic/electrophilic properties and dipole moment for modifiers were obtained. The donor-acceptor properties, the differences in the characteristics of the molecules of alkamon, triamon, and hydrophobic silicone organic liquid were quantitatively and qualitatively established. The regularities of the formation of hydrophobic and antifriction properties in the composition of industrial oil I-20-surface-modified metal with various electrophilic-nucleophilic properties of the applied substances