Performance and computational studies of new soluble triazole as corrosion inhibitor for carbon steel in HCl

• Published in: Chemical Data Collections Vol. 22; p. 100242
• Main Authors: Rouifi, Z., Benhiba, F., Faydy, M. El, Laabaissi, T., About, H., Oudda, H., Warad, I., Guenbour, A., Lakhrissi, B., Zarrouk, A.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01.08.2019
• Subjects: Carbon steel; Corrosion inhibition; DFT; Synthesis; UV-visible spectrophotometry; UV-visible spectrophotometry; Carbon steel; Synthesis; DFT; Corrosion inhibition
• ISSN: 2405-8300; 2405-8300
• DOI: 10.1016/j.cdc.2019.100242

The current investigation reports the corrosion inhibition and adsorption behavior of new 4-amino-1-((8-hydroxyquinolin-5-yl)methyl)-1,2,3-triazole-5-carboxylate (MHTC) for our substrate [carbon steel (CS)] exposed to 1 M HCl. Tafel curves, electrochemical impendence spectroscopy (EIS) measurements and mass loss (ML) estimations were performed to analyze the corrosion performance ability of MHTC. The inhibitory efficacy of MHTC increases with its concentration, it gives a maximum inhibition efficiency of 91% at 1Mm. Polarization studies indicate that MHTC acts as a mixed corrosion inhibitor. The adsorption of MHTC on the surface of CS obeyed the Langmuir isotherm. UV–visible and SEM techniques were carried out for surface investigation of the CS. The reactivity of MHTC was quantum chemically analyzed by the DFT method to clarify the effectiveness of this soluble inhibitor. Adsorption model of MHTC molecule on CS surface was investigated using Monte Carlo (MC) simulations, which revealed that MHTC adsorb on Fe(110) surface in flat orientation. [Display omitted]