关键词: Q235 steel corrosion electrochemistry plant extract theoretical calculation

来  源:   DOI:10.3390/ma17153758   PDF(Pubmed)

Abstract:
High toxicity is the main reason for the limited application of traditional corrosion inhibitors. Herein, it is critical to find a green, efficient, and long-term stable alternative substitute for the hazardous and conventional corrosion inhibitor. Ambrosia trifida L is widely distributed in fields and riverside wetlands as an invasive plant in China. According to the concept of turning waste into treasure, the extract of Ambrosia trifida L leaves (ATL) has the potential to address this issue due to its natural origin and abundant presence of heterocyclic organics. Therefore, ATL, as a green corrosion inhibitor, is prepared for the first time via a simple water-based extraction method. FT-IR (Fourier transform infrared spectroscopy) and UV-Vis (UV-visible) indicate that ATL extract contains abundant heterocyclic organics with conjugated structures, which exhibit the potential to become a high-efficiency inhibitor. Notably, the active sites of ATL molecules and their interaction with Q235 steel at the molecular/atomic level are revealed via theoretical calculations. The highest Ebinding value observed for the major components in the ATL extract is 259.66 kcal/mol, implying a significant adsorption capacity. The electrochemical results verify that microdose ATL extract can prominently inhibit steel corrosion, and the highest inhibition efficiency (η) is 97.5% (1000 mg/L). Following immersion for 24 h, the η value is enhanced to 99.0%, indicating a reliable and long-term ATL extract protection film is formed on the steel surface in harsh acidic solutions. The results of the weight loss, SEM (scanning electron microscope), and LSCM (laser scanning confocal microscopy) are consistent with the above conclusions. Finally, this study anticipates providing theoretical support for developing novel green plant extract inhibitors and aiding in their application in industrial pickling environments.
摘要:
高毒性是传统缓蚀剂应用受限的主要原因。在这里,找到绿色是至关重要的,高效,和长期稳定的替代替代危险和常规腐蚀抑制剂。三裂AmbrosisL作为入侵植物在中国广泛分布于田间和河边湿地。根据变废为宝的概念,三叶AmbrosiaL叶(ATL)的提取物由于其天然来源和杂环有机物的丰富存在而具有解决这一问题的潜力。因此,ATL,作为绿色缓蚀剂,首次通过简单的水基提取方法制备。FT-IR(傅里叶变换红外光谱)和UV-Vis(紫外-可见)表明ATL萃取物含有丰富的共轭结构的杂环有机物,具有成为高效抑制剂的潜力。值得注意的是,通过理论计算揭示了ATL分子的活性位点及其与Q235钢在分子/原子水平上的相互作用。ATL提取物中主要成分的最高结合值为259.66kcal/mol,意味着显著的吸附能力。电化学结果验证了微剂量ATL提取物能显著抑制钢的腐蚀,最高抑制效率(η)为97.5%(1000mg/L)。浸泡24小时后,η值提高到99.0%,表明一个可靠的和长期的ATL提取物保护膜形成在钢表面在苛刻的酸性溶液。减肥的结果,SEM(扫描电子显微镜),LSCM(激光扫描共聚焦显微镜)与上述结论一致。最后,本研究为开发新型绿色植物提取物抑制剂及其在工业酸洗环境中的应用提供了理论支持。
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