Mechanistic insights into carbon steel corrosion inhibition by benzodiazepine derivatives in hydrochloric acid

Key Points

• This research aims to understand how benzodiazepine derivatives inhibit carbon steel corrosion in hydrochloric acid.
• Analyzed the effectiveness of SR 3 and SR 4 benzodiazepine derivatives in 1 M HCl
• Conducted surface analyses to confirm inhibitor adsorption on carbon steel
• Utilized DFT and MD simulations to elucidate the inhibition mechanism.
• SR 3 and SR 4 significantly inhibit carbon steel corrosion in 1 M HCl
• Surface analyses confirm successful adsorption of inhibitors on the steel surface
• DFT and MD simulations reveal insights into the mechanisms of inhibition.