Performance of a new pyrazole derivative in 1 M HCl on the corrosion of carbon steel: experimental, quantum chemical and molecular dynamics simulation studies

Abstract

The present research demonstrates an innovative investigation of a new pyrazol derivative (2-benzoyl-4-nitro-N-[(1H-pyrazol-1-yl)methyl]aniline (BNPMA)) as an inhibitor of carbon steel corrosion in molar hydrochloric acid. A variety of methods and techniques were used in our research to assess corrosion inhibition, including weight loss measurements (WL), electrochemical trials like potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS), surface analysis methods such a scanning electron microscope coupled with Energy-Dispersive X-ray Spectroscopy (SEM/EDX), UV-Visible analysis, as well as computational evaluation of BNPMA. The organic compound was confirmed to be a good anticorrosive product with a maximal inhibition efficiency (IE%) of 93.2% at 10(-3) M. According to the PDP results, the inhibitor BNPMA acts as a mixed-type inhibitor. The Langmuir model seems to be followed during BNPMA's adsorption on the CS surface. According to UV-visible and scanning electron microscopy, a barrier coating was formed which prevented corrosive ions from reaching the CS surface. The outcomes of experimental approaches (WL, PDP, and EIS) have been supported by theoretical investigations. [GRAPHICS] .