High-performance corrosion inhibitors for carbon steel in hydrochloric acid: electrochemical and DFT studies

盐酸中碳钢高性能缓蚀剂:电化学和DFT研究

阅读:1

Abstract

This research examines the corrosion inhibition efficiency of two novel compounds, AEPA and DOCA, on carbon steel in 1.0 M hydrochloric acid. Both AEPA and DOCA demonstrated excellent electrochemical performance as corrosion inhibitors, with inhibition efficiencies exceeding 93% at a concentration of 10 mM, as confirmed through potentiodynamic polarization (PDP), electrochemical frequency modulation (EFM), and electrochemical impedance spectroscopy (EIS) techniques. EIS analysis revealed a marked increase in charge transfer resistance (R (ct)), reaching 387.55 Ω cm(2) for AEPA and 345.80 Ω cm(2) for DOCA, indicating the formation of a robust protective layer on the carbon steel surface. Adsorption studies confirmed that both inhibitors follow the Langmuir isotherm model, suggesting monolayer chemisorption. The calculated adsorption equilibrium constants with corresponding Gibbs free energy values of -29.53 kJ per mol (AEPA) and -29.30 kJ per mol (DOCA), respectively, indicating spontaneous and strong adsorption interactions. Theoretical insights from density functional theory (DFT) calculations revealed that AEPA possesses a higher HOMO energy (-5.65 eV) and a lower LUMO energy (-1.12 eV) compared to DOCA (HOMO: -6.70 eV, LUMO: -0.85 eV), resulting in a smaller energy gap (ΔE = 4.53 eV for AEPAvs. 5.85 eV for DOCA). This suggests that AEPA has a greater electron-donating ability and stronger interaction with the metal surface. The integration of experimental and theoretical approaches provides a comprehensive understanding of their inhibition mechanisms and highlights their potential for practical applications in corrosion protection.

特别声明

1、本页面内容包含部分的内容是基于公开信息的合理引用;引用内容仅为补充信息,不代表本站立场。

2、若认为本页面引用内容涉及侵权,请及时与本站联系,我们将第一时间处理。

3、其他媒体/个人如需使用本页面原创内容,需注明“来源:[生知库]”并获得授权;使用引用内容的,需自行联系原作者获得许可。

4、投稿及合作请联系:info@biocloudy.com。