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Akademisyenler > Fatemeh MOLLAAMIN > Yayın Detayı

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 acids and comparison between two acidic media      
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Devamını Göster
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 Al-surface in hydrocholoric acid (HCl) and nitric acid (HNO3) was investigated at the HF and B3LYP level using the ab initio 6-3IG 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-adsorption of the inhibitor and Cl - or NO-3 and Hads is discussed. The results show that pyridine and its derivatives can act in hydrocholoric acid better than nitric acid media. In other words the stabilization energy increases in hydrocholoric acid.
Anahtar Kelimeler
aluminum surface | adsorption | acid solutions | modeling study | acid inhibition
Makale Türü Özgün Makale
Makale Alt Türü ESCI dergilerinde yayınlanan tam makale
Dergi Adı MAIN GROUP METAL CHEMISTRY
Dergi ISSN 0792-1241 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 01-2003
Cilt No 26
Sayı 6
Sayfalar 349 / 361
Doi Numarası 10.1515/MGMC.2003.26.6.349
Makale Linki https://www.degruyter.com/document/doi/10.1515/MGMC.2003.26.6.349/html
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
WoS 41
SCOPUS 75
Google Scholar 58
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 acids and comparison between two acidic media

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