腐蚀
硫脲
化学
吸附
朗缪尔吸附模型
电化学
扫描电子显微镜
碳钢
极化(电化学)
电解质
密度泛函理论
分子动力学
核化学
化学工程
无机化学
计算化学
物理化学
复合材料
材料科学
电极
有机化学
工程类
作者
M. El Faydy,F. Benhiba,I. Warad,S. Saoiabi,Ahmed Alharbi,Ahmad A. Alluhaybi,B. Lakhrissi,M. Abdallah,Abdelkader Zarrouk
标识
DOI:10.1016/j.molstruc.2022.133389
摘要
• Inhibition behavior of BQMT and QMHC for carbon steel is studied. • Both inhibitors are mixed types. • SEM and UV-Visible studies support the formation of inhibitors film on steel surface. • DFT and MD was performed to explain the corrosion inhibition performance of both inhibitors. The inhibition performance of two bisquinoline analogs, 3-bis((8-hydroxyquinolin-5-yl)methyl)thiourea (BQMT) and O-((8-hydroxyquinolin-5-yl)methyl)((8-hydroxyquinolin-5-yl)methyl)((8-hydroxyquinolin-5-yl)methyl) carbamothioate (QMHC), on carbon steel (CS) in 1M HCl have been assessed through using weight loss tests, electrochemical techniques, scanning electron microscope (SEM), Uv-visible spectroscopy, as well as theoretical calculations. The experimental outcomes exhibited that BQMT and QMHC have largely inhibited the CS corrosion and their inhibition efficiency enhances with the increase of concentration. The maximum inhibition efficiency of BQMT and QMHC was figured out to be 95.0 and 92.3 percent at 10 −3 M, respectively. Potentiodynamic polarization (PDP) studies exhibited that BQMT and QMHC behave as mixed-type inhibitors. Adsorption of BQMT and QMHC on CS surface is examined by SEM, Uv-visible, and different isotherm models, which obey Langmuir isotherm. Furthermore, Density functional theory (DFT) and molecular dynamics simulation (MDS) calculations were implemented to understand the corrosion resistance mechanism.
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