Corrosion Inhibiting by Some Organic Heterocyclic Inhibitors Through Langmuir Adsorption Mechanism on the Al-X (X = Mg/Ga/Si) Alloy Surface: A Study of Quantum Three-Layer Method of CAM-DFT/ONIOM
Yazarlar (2)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Kastamonu Üniversitesi, Türkiye
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Central Tehran Branch, İran
| Makale Türü | Özgün Makale (SCOPUS dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Bio and Tribo Corrosion | ||
| Dergi ISSN | 2198-4220 Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2023 |
| Cilt / Sayı / Sayfa | 9 / 2 / – | DOI | 10.1007/s40735-023-00751-y |
| Makale Linki | https://link.springer.com/article/10.1007/s40735-023-00751-y | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
|
||
| Özet |
| The physicochemical attributes of inhibitor → metal & metal alloys nanosheet can be one of the fundamental factors for recognizing determining and selecting the Langmuir adsorption through IR, NMR, NQR, NBO, UV–VIS, HOMO/LUMO, and charge distribution and other quantum attributes. Then, the fluctuation of occupancy of natural bond orbitals has been estimated for pyridine → Al–Al, pyridine → Al–Mg, pyridine → Al–Ga, pyridine → Al–Si; 2-picoline → Al–Al, 2-picoline → Al–Mg, 2-picoline → Al–Ga, 2-picoline → Al–Si; 3-picoline → Al–Al, 3-picoline → Al–Mg, 3-picoline → Al–Ga, 3-picoline → Al–Si, 4-picoline → Al–Al, 4-picoline → Al–Mg, 4-picoline → Al–Ga, 4-picoline → Al–Si, and 2,4-lutidine → Al–Al, 2,4-lutidine → Al–Mg, 2,4-lutidine → Al–Ga, and 2,4-lutidine → Al–Si through the Langmuir adsorption process due to concerning the nitrogen atom in the … |
| Anahtar Kelimeler |
| Al–Ga | Al–Mg | Al–Si | CAM-B3LYP/EPR-III, LANL2DZ, 6–31 + G(d,p) | HOMO | IR | Langmuir adsorption | LUMO | NBO | NMR | NQR | ONIOM | Organic heterocyclic inhibitors | UV–VIS |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Scopus | 33 |
| Google Scholar | 33 |