Abstract
The research aims to explore the corrosion protection performance and mechanism of the Brassica rapa subsp. extract (BRE) considered as a new environmental protection corrosion inhibitor. In this research, the inhibition performance of BRE toward Q235 steel in H2SO4 solution was evaluated through combining potentiodynamic polarization and electrochemical impedance. The results showed that the BRE molecules could form a dense protective film on steel surface, effectively preventing from the attack of corrosive ions. Specifically, the inhibition efficiency brought by 200 mg/L of BRE at each temperature exceeded 93 %. The results of Fourier transform infrared spectroscopy (FTIR) and UV–vis spectroscopy showed that the BRE molecules was well adsorbed on the steel surface. In the meantime, the results of N-Fe bond of X-ray photoelectron spectroscopy (XPS) indicated that the nitrogen-atom in BRE molecules worked as the active site to form multiple anchoring effects in Q235 steel. Calculations based on density functional theory (DFT) and molecular dynamics (MD) simulations have theoretically revealed the adsorption mechanism of BRE on the surface of Q235 steel at the molecular/atomic level.
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