期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1284, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2023.135441
关键词
Epoxy polymer; Mild steel; PDP; EIS; DFT; MD; SEM; XRD
The inhibitory performance of epoxy polymer (TGETBAU) on mild steel (M-S) in 1.0 M HCl solution was assessed using potentiodynamic polarization and electrochemical impedance spectroscopy. The effects of TGETBAU molecule on corrosion inhibition and the adsorption of epoxy polymer on M-S surface were investigated using density functional theory calculation and molecular dynamics simulation. The highest inhibitory efficiency of 93% was achieved at 303 K with 2.0 g/L of TGETBAU. The corrosion of M-S was inhibited through Langmuir adsorption mechanism. The theoretical calculations were consistent with the experimental results. Moreover, M-S was protected in 1.0 M HCl, as confirmed by scanning electron microscopy and X-ray diffraction analysis.
Assessment of epoxy polymer (TGETBAU) performance, in inhibiting of mild steel (M-S) in HCl(1.0 M) from corrosion via potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). In addition, density functional of theory (DFT) calculation and molecular dynamic (MD) simulation were used to investigate the TGETBAU molecule effect on the inhibition of corrosion and to describe epoxy polymer adsorption on the surface of M-S. Electrochemical measurements revealed that the highest inhibitory efficiency is 93% measured at 303 K using 2.0 g/L of TGETBAU. Corrosion of M-S via TGETBAU was inhibited by a Langmuir adsorption mechanism. The theoretical computations are in accordance with the laboratory results. Moreover; the M-S is protected in HCl (1.0 M), as confirmed by both scanning electron microscopy (SEM), and X ray diffraction (XRD) analysis.
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