The inhibitory properties of rapeseed cake meal extract (RCME) on the corrosion of cold rolled steel (CRS) in trichloroacetic acid (TCA) were systematically investigated using gravimetric, electrochemical, surface characterizations and theoretical calculations. The results demonstrate that RCME exhibits excellent inhibitory performance with a maximum inhibition efficiency of 92.7 % for 100 mg L−1 RCME at 20 °C. The adsorption of RCME obeys Langmuir isotherm at 20 and 30 °C, Temkin isotherm at 40 °C, and Freundlich isotherm at 50 °C. RCME acts as a cathodic inhibitor. The charge transfer resistance is increased with the addition of RCME, while the double-layer capacitance decreases. SEM, AFM, CLSM, XPS, XRD and TOF-SIMS analyses confirm that the active components in RCME adsorb onto the surface of CRS, forming a protective film that effectively inhibits the corrosion of CRS by TCA. Along with the increase in the concentration of RCME, the surface tension of the inhibited solution gradually decreases, while the electrical conductivity increases before stabilizing. HPLC-MS and FTIR analyses reveal rutin, linolenic acid, linoleic acid and adenine are the effective substances in RCME. Quantum chemical (QC) calculations and molecular dynamic (MD) simulations indicate that the active centers of the effective inhibitor molecules are predominantly located on benzene rings, O- or N-containing heterocyclic rings, and functional groups such as C=O and C=C. Additionally, their main chains adsorb onto the Fe (001) surface in an approximately flat manner, involving both chemical and physical adsorption processes.

中文翻译：

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菜籽饼粕提取物作为冷轧钢在三氯乙酸溶液中腐蚀的环保绿色可持续抑制剂


采用重量法、电化学法、表面表征法和理论计算法，系统研究了菜籽饼粕提取物 （RCME） 对冷轧钢 （CRS） 在三氯乙酸 （TCA） 中腐蚀的抑制性能。结果表明，RCME 表现出优异的抑制性能，在 20 °C 下对 100 mg L-1 RCME 的最大抑制效率为 92.7 %。 RCME 的吸附在 20 °C 和 30 °C 时遵循 Langmuir 等温线，在 40 °C 时遵循 Temkin 等温线，在 50 °C 时遵循 Freundlich 等温线。RCME 充当阴极抑制剂。电荷转移电阻随着 RCME 的增加而增加，而双电层电容减小。SEM、AFM、CLSM、XPS、XRD和TOF-SIMS分析证实，RCME中的活性成分吸附到CRS表面，形成一层保护膜，有效抑制TCA对CRS的腐蚀。随着 RCME 浓度的增加，抑制溶液的表面张力逐渐降低，而电导率增加后趋于稳定。HPLC-MS 和 FTIR 分析显示芦丁、亚麻酸、亚油酸和腺嘌呤是 RCME 中的有效物质。量子化学 （QC） 计算和分子动力学 （MD） 模拟表明，有效抑制剂分子的活性中心主要位于苯环、含 O 或 N 的杂环以及 C=O 和 C=C 等官能团上。此外，它们的主链以近似平坦的方式吸附到 Fe （001） 表面上，涉及化学和物理吸附过程。