Selection of Corrosion Inhibitors for Use in Sour Media

Abstract

Extended Hückel molecular orbital (EHMO) calculations were performed on some substituted aliphatic amines and some substituted pyridine derivatives that are used as corrosion inhibitors in sour media. Correlations of corrosion rates with the charge on the nitrogen atom (Zn), energy of the highest occupied molecular orbital (EHOMO), energy gap between the lowest unoccupied molecular orbital (ELUMO) and EHOMO, ionization potential, and Hammett’s σ parameter were made.