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

MONAJJEMI, Majıd; MOLLAAMIN, Fatemeh; Gholami, M. R.; Yoosbashizadeh, H.; Sadrnezhad, S. K.; Passdar, Hoda

doi:10.1515/MGMC.2003.26.6.349

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 (6)

Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran

Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Science And Research Branch, İran

M. R. Gholami
Sharif University of Technology, İran

H. Yoosbashizadeh
Sharif University of Technology, İran

S. K. Sadrnezhad
Sharif University of Technology, İran

Hoda Passdar
Islamic Azad University, Science And Research Branch, İran

Makale Türü	Özgün Makale (ESCI dergilerinde yayınlanan tam makale)
Dergi Adı	Main Group Metal Chemistry
Dergi ISSN	0792-1241
Makale Dili	İngilizce	Basım Tarihi	01-2003
Cilt / Sayı / Sayfa	26 / 6 / 349–361	DOI	10.1515/MGMC.2003.26.6.349
Makale Linki	http://www.scopus.com/inward/record.url?eid=2-s2.0-2642520555&partnerID=MN8TOARS
UAK Araştırma Alanları

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

Acid inhibition | Acid solutions | Adsorption | Aluminum surface | Modeling study

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Web of Science	41
Scopus	76

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

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

Paylaş