Renewable low-cost brassica rapa subsp. Extract for protection of Q235 steel in H2SO4 medium: Experimental and modeling studies

다국어 초록 (Multilingual Abstract)

The research aims to explore the corrosion protection performance and mechanism of the Brassica rapasubsp. 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 combiningpotentiodynamic polarization and electrochemical impedance. The results showed that the BRE moleculescould form a dense protective film on steel surface, effectively preventing from the attack of corrosiveions. Specifically, the inhibition efficiency brought by 200 mg/L of BRE at each temperature exceeded93 %. The results of Fourier transform infrared spectroscopy (FTIR) and UV–vis spectroscopy showed thatthe BRE molecules was well adsorbed on the steel surface. In the meantime, the results of N-Fe bond of Xrayphotoelectron spectroscopy (XPS) indicated that the nitrogen-atom in BRE molecules worked as theactive 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 mechanismof BRE on the surface of Q235 steel at the molecular/atomic level.

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