Pentamer fragments as green corrosion inhibitors of Al, Fe and Cu metals

• Autorzy: Abu-Sbeih Khaleel A. , Al-Mazaideh Ghassab

Identyfikatory

DOI

10.15199/40.2025.4.2

Warianty tytułu

PL

Fragmenty pentamerowe jako zielone inhibitory korozji metali Al, Fe i Cu

• Języki publikacji: EN

Abstrakty

EN

Chitosan oligomers can act as green corrosion inhibitors for metals. The effect of the location of the acetyl group in the oligomer on its ability to inhibit the corrosion of the metals Al, Fe, and Cu was studied employing DFT calculations using the B3LYP functional and the 6-31G* (d,p) basis set. Various quantum, polarizability, and reactivity parameters were calculated and used to assess the relative capabilities of the oligomers to inhibit the corrosion of the metals. All of the pentamers were found to have spontaneous chemisorption on the surfaces of the metals. PAG1, the pentamer which has the acetyl group at the end of the chain, had the best reactivity and polarizability parameters of the three pentamers studied, thus making it the most effective corrosion inhibitor of the oligomers.

PL

Oligomery chitozanu mogą działać jako zielone inhibitory korozji metali. Wpływ położenia grupy acetylowej w oligomerze na jego zdolność do hamowania korozji metali Al, Fe i Cu zbadano za pomocą obliczeń DFT z wykorzystaniem funkcjonału B3LYP i zestawu funkcji bazowych 6-31G* (d,p). Różne parametry kwantowe, polaryzowalności i reaktywności zostały obliczone i wykorzystane do oceny względnych zdolności oligomerów do hamowania korozji metali. Stwierdzono, że wszystkie pentamery wykazują spontaniczną chemisorpcję na powierzchniach metali. PAG1, który ma grupę acetylową na końcu łańcucha, charakteryzował się najlepszymi parametrami reaktywności i polaryzowalności spośród trzech analizowanych pentamerów, co czyni go najskuteczniejszym inhibitorem korozji w grupie badanych oligomerów.

Słowa kluczowe

EN

corrosion; DFT; green inhibitor; aluminum; chemisorption

PL

korozja; DFT; zielone inhibitory; aluminium; chemisorpcja

• Wydawca: Wydawnictwo SIGMA-NOT
• Czasopismo: Ochrona przed Korozją
• Rocznik: 2025
• Tom: nr 4
• Strony: 107--113
• Opis fizyczny: Bibliogr. 30 poz., tab., wykr.

Twórcy

autor

Abu-Sbeih Khaleel A.

• Department of Chemistry, College of Sciences, Al-Hussein Bin Talal University, Ma’an, Jordan

• https://orcid.org/0000-0002-1605-0665

autor

Al-Mazaideh Ghassab

• Department of Pharmaceutical Chemistry, College of Pharmacy, University of Hafr Al-Batin, , Hafr Al-Batin, Saudi Arabia

• https://orcid.org/0000-0003-4494-4284

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