Quantum Chemical Parameters of Some Organic Corrosion Inhibitors, Pyridine, 2-Picoline 4-Picoline and 2, 4-Lutidine, Adsorption at Aluminum Surface in Hydrocholoric and Nitric …
Yazarlar (6)
M Monajjemi
MR Gholami
H Yoosbashizadeh
SK Sadrnezhad
Hoda Passdar
Makale Türü Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale)
Dergi Adı Main Group Metal Chemistry
Makale Dili Basım Tarihi 01-2003
Cilt / Sayı / Sayfa 26 / 6 / 349–362 DOI 10.1515/MGMC.2003.26.6.349/html
Makale Linki https://www.degruyterbrill.com/document/doi/10.1515/MGMC.2003.26.6.349/html
UAK Araştırma Alanları
Fiziksel Kimya
Özet
The effect of new corrosion inhibitors, namely pyridine, 2-methylpyridine (2-picoline), 4-methylpyridine (4-picoline), 2, 4-dimethylpyridine (2, 4-lutidine), on the corrosion of ΑΙ-surface in hydrocholoric acid (HCl) and nitric acid (HN03) was investigated at the HF and B3LYP level using the ab initio 6-31G and LANL2DZ basis sets from the program package Gaussian 98 (A. 7 Public Domain version). The physico-chemical properties of corrosion inhibitors are one of the principal criteria for the determination and selection of inhibitors. The inhibition of the Al-surface in solutions of hydrocholoric acid and nitric acid by some N-heterocyclic compounds has been studied. The calculated results indicate that the compounds were adsorbed on the metal surface mainly in their protonated forms. In the Al-surface charge is transferred to the inhibitor and the organic inhibitor is adsorbed at the Al-surface in an inclined state. The co …
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