Indian Journal of Scientific Research
Year : 2017, Volume : 8, Issue : 1
First page : ( 53) Last page : ( 61)
Print ISSN : 0976-2876. Online ISSN : 2250-0138.

Theoretical investigation of corrosion of mild steel in acidic medium by triazole based schiffs base as inhibitor

Shanthi R., Karunakaran R. Joel*

Department of Chemistry, Madras Christian College, Tambaram, Chennai, India

*Corresponding author

Online published on 24 May, 2018.

Abstract

The inhibitive performance of three triazoles namely diamino triazole (TA), anisaldine 3, 5-diaminotriazole (ATA), vanilidine 3,-diaminiotriazole (VTA) have been studied using DFT approach. The inhibitors investigated in B3LYP/6–31G** level in non-protonated and protonated forms are successfully proven to inhibit the corrosion of mild steel in acidic medium in the order VTA>ATA > TA. This is found to be consistent with the reported inhibition efficiencies. The electrostatic potential diagram gives a better idea on the inhibition phenomenon.

Top

Keywords

Nitrogen based triazoles, Molecular orbital calculations, Corrosion inhibition.

Top