Experimental and theoretical studies of benzalkonium chloride as an inhibitor for carbon steel corrosion in sulfuric acid

Abstract

The effect of benzalkonium chloride (BKC) on the corrosion of carbon steel in H2SO4 media has been examined by electrochemical impedance spectroscopy (EIS), polarization, weight loss, and scanning electron microscopy (SEM) methods. The results showed that the corrosion inhibition efficiency of BKC was excellent. Potentiodynamic polarization study showed that the BKC was a mixed-type inhibitor. DFT calculations were used to gain insight into the structural and electronic properties in relation to the inhibition efficiency. Molecular dynamics (MD) simulations demonstrate that chloride ion plays a significant role in the inhibition mechanism.