Application of Physical and Quantum-Chemical Characteristics of Epoxy-Containing Diluents for Wear-Resistant Epoxy Compositions

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dc.contributor.authorKulikov, Andriien
dc.contributor.authorSukhyy, Kostyantyn M.en
dc.contributor.authorYeromin, Oleksandr O.en
dc.contributor.authorFedak, Marcelen
dc.contributor.authorProkopenko, Olena M.en
dc.contributor.authorSukha, Iryna V.en
dc.contributor.authorPoloz, Oleksiien
dc.contributor.authorMikats, Olehen
dc.contributor.authorHrebik, Tomasen
dc.contributor.authorKulikova, Olhaen
dc.contributor.authorLopusniak, Martinen
dc.date.accessioned2026-02-10T11:26:42Z
dc.date.issued2025
dc.descriptionA. Kulikov: ORCID 0000-0002-0389-3073; K. Sukhyy: ORCID 0000-0002-4585-8268; O. Yeromin: ORCID 0000-0001-8306-578X; M. Fedak: ORCID 0000-0002-0389-3073; O. Prokopenko: ORCID 0009-0001-8563-5659; I. Sukha: ORCID 0000-0002-5579-2047; O. Poloz: ORCID 0000-0001-5577-3869; T. Hrebik: ORCID 0009-0000-5318-5772; O. Kulikova: ORCID 0000-0003-2357-8975en
dc.description.abstractENG: Low-viscosity epoxy-containing diluents are used to reduce the initial viscosity of highly filled, wear-resistant epoxy systems and to improve filler wetting and dispersion. This study determined physical parameters by an atomic-increment approach and electronic descriptors using the Parametric Method 3 (PM3) semi-empirical method. Clear relationships were established between the effective molar cohesion energy and the solubility parameter with van der Waals volume. Linear dependencies were also obtained between the diluent surface tension and spreading coefficients on model high-hardness fillers, including silicon carbide, boron carbide, and normal corundum. The activity of epoxy diluents depends on the lowest unoccupied molecular orbital energy. These diluents influence processing and the final physical and mechanical properties of composites, making their selection critical for strength, hardness, and wear resistance. Computational analysis enables prediction of diluent behavior, reducing experimental time and cost. Integrating physical and quantum-chemical data into epoxy diluent design accelerates the search for optimal components and improves production of durable, high-performance epoxy composites.en
dc.description.sponsorshipTechnical University of Kosice, Presov, Slovakiaen
dc.identifier.citationKulikov A., Sukhyy K., Yeromin O., Fedak M., Prokopenko O., Sukha I., Poloz O., Mikats O., Hrebik T., Kulikova O., Lopusniak M. Application of Physical and Quantum-Chemical Characteristics of Epoxy-Containing Diluents for Wear-Resistant Epoxy Compositions. Materials. 2025. Vol. 18, No. 24. Art. 5643. DOI: https://doi.org/10.3390/ma18245643.en
dc.identifier.doihttps://doi.org/10.3390/ma18245643en
dc.identifier.issn1996-1944
dc.identifier.urihttps://www.mdpi.com/1996-1944/18/24/5643en
dc.identifier.urihttps://crust.ust.edu.ua/handle/123456789/21630en
dc.language.isoen
dc.publisherMDPI, Basel, Switzerlanden
dc.rightsCreative Commons Attribution 4.0 International Licenseen
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en
dc.subjectepoxy-containing diluents for epoxy compositionsen
dc.subjectpolyamine hardenersen
dc.subjectquantum-chemical calculationsen
dc.subjectelectron gapen
dc.subjectsurface energyen
dc.subjectwettingen
dc.subjectspreadingen
dc.subjectКЕТтаОПuk_UA
dc.subjectКТППтаПМuk_UA
dc.subject.classificationNATURAL SCIENCESen
dc.subject.classificationNATURAL SCIENCES::Chemistryen
dc.subject.classificationTECHNOLOGYen
dc.titleApplication of Physical and Quantum-Chemical Characteristics of Epoxy-Containing Diluents for Wear-Resistant Epoxy Compositionsen
dc.typeArticleen

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