Exploring protective mechanisms with triazine ring and hydroxyethyl groups: Experimental and theoretical insights
Year: 2024
Type: article
Abstract: The current study investigates the protective mechanisms of a novel triazine-based compound, 2,2′,2''-((1,3,5-triazine-2,4,6-triyl)tris (azanediyl))triethanol (TATTE) (for carbon steel protection in 0.5 M sulfuric acid) were investigated. Potentiodynamic polarization and electrochemical impedance spectroscopy analyses unveiled that TATTE serves as a protective agent with a dual inhibitory mechanism, showcasing exceptional efficiency exceeding 96%. Scanning electron microscopy (SEM) observations demonstrated the formation of a protective layer by TATTE on the surface of carbon steel. Density functional theory (DFT) calculations offered valuable insights into the favorable adsorption of both the neutral and protonated forms of TATTE through interactions between their functional groups and the steel surface. Molecular dynamics simulations further substantiated this, revealing that the neutral molecule exhibits physical adsorption, while the protonated form engages in stronger chemical adsorption, as evidenced by binding energies and radial distribution functions. The superior protective mechanism performance observed in our experiments can be attributed to the synergistic adsorption of TATTE, facilitated by the presence of the triazine ring and multiple hydroxyl groups. • TATTE achieves over 96% corrosion protection efficiency. • Protective layer formation on steel demonstrated via SEM. • Dual inhibitory action of TATTE uncovered in corrosion prevention. • DFT and MD simulations reveal adsorption mechanisms of TATTE. • TATTE confirmed as an eco-friendly option for steel protection.
Source: Kuwait Journal of Science
Authors: Roza Durdubaeva, Khasan Beknazarov, Abror Nomozov, Muslum Demir, Elyor Berdimurodov, Biybimaryam Xojametova, Omar Dagdag, Avni Berisha, Abdulaziz Kurbanov, Yorkin Rakhmatullaev, Khasan Berdimuradov
Institutions: Karakalpak State University, Termez State University, Tashkent Medical Academy, TÜBİTAK Marmara Research Center, Boğaziçi University, Tashkent Institute of Irrigation and Agricultural Mechanization Engineers, New Uzbekistan University, National University of Uzbekistan, Gachon University, University of Prishtina, Karshi State University, Western Caspian University, University of Tashkent for Applied Sciences
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $1,100
OpenAlex ID: W4404800620