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using an aluminum alloy intermetallide as an example substance. In addition, we could
predict the corrosion-morphological stability of binary platinum nanoparticles with the
shell structure of PtMe (Me – Cr, Fe, Co, Ni, Ru) in the low-temperature fuel cell
environment.
Next, using data-calculation analysis, we have determined the interaction between
the intermetallic phases of aluminum alloys Al 2Cu and Al 2CuMg and corrosive
environment, which allowed to propose an alternative mechanism for alloy corrosion and
to explain the existing experimental results. Moreover, we have theoretically substantiated
the inhibitory effect of modified zeolites and surface-active ramnolipid biocomplexes on
aluminum alloys. In addition, we have revealed the possibility of formation of stable
rhamnolipid complexes with aluminum ions that can precipitate on the metal surface
forming an organic barrier layer, thereby preventing metal corrosion. We have also
predicted the mechanism of synergistic interaction of rhamnolipids with calcium and zinc
phosphates, which contributes to lipid solubilization.
We have also used quantum-chemical methods to develope and deepene the
theoretical understanding of the mechanisms by which the components of the corrosive
environment influence the contacting surfaces of metallic clusters. We note that our data
are in full agreement with the theory of structural-thermal surface activation during
tribocorrosion.
Moreover, we have established the physical and chemical laws of structural and
energetic degradation of binary platinum nanoclusters with the shell structure of Pt 42Me 13
(Me – Cr, Fe, Co, Ni, Ru) and different composition under the influence of corrosive
components, and shown that transition metals, which make up the core of such
nanoclusters, significantly affect their adsorption characteristics and corrosion-
morphological durability of a surface in the low-temperature fuel cell environment. We
have also introduced a unit of an energetic activity to be used for the practical evaluation
of the corrosion-morphological stability of the binary platinum nanoparticles with the shell
structure in the environment. This unit is determined by the ratio of the calculated
cohesive energies of binary and monoplatin nanoclusters during their interaction with the
components of the environment.
The established relationships between chemical composition, crystall structure, the
nature of chemical bonding in binary platinum nanoclusters and their reactivity enable us
to provide practical recommendations for the prediction of properties and creation of new
efficient binary platinum-based nanomaterials for low-temperature fuel cells.
The obtained data concerning the geometric and electronic structure of modified
zeolites with calcium and zinc ions were used during creation and optimization of the
inhibitory pigments composition based on zeolites and nanostructured phosphates for
polyurethane paint and varnish ground coatings, which were introduced in the SEEC
"Lvivanticor".

Кey words: corrosion resistance, intermetallics of aluminum alloys, binary platinum
nanoparticles, quantum-chemical calculation, density functional theory, cluster models,
binding energy, energy barriers of corrosion dissolution, adsorption, electronic structure of
inhibitors, rhamnolipid, zeolites.