Nature-Derived corrosion inhibition of steel in HCl by Pančić spruce essential Oil: Insights from experimental and Computational Approaches

IF 6.9 2区材料科学 Q2 CHEMISTRY, PHYSICAL Applied Surface Science Pub Date : 2025-03-25 DOI:10.1016/j.apsusc.2025.163048

Anđela R. Simović , Jelica Novaković , Branislav Milovanović , Mihajlo Etinski , Peđa Janaćković , Jelena B. Bajat

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Abstract

This study examines the potential of essential oil extracted from the needles of Pančić spruce as an innovative, eco-friendly corrosion inhibitor for carbon steel in a 1 M HCl solution. Analysis by GC/MS and FTIR revealed that the essential oil is rich in active organic compounds. Impedance measurements showed a significant increase in charge transfer resistance values for steel samples treated with the oil, achieving a maximum inhibition efficiency of 93 % at a concentration of 200 ppm after 4 h. Polarization measurements indicated that the oil acts as a mixed-type inhibitor. SEM demonstrated that the oil significantly altered the surface morphology of carbon steel. Adsorption studies followed the Langmuir isotherm, while thermodynamic analysis suggested that the organic components of the oil adsorb onto the metal surface through a combination of physisorption and chemisorption. XPS confirmed the presence of a protective film consisting of Fe oxides/hydroxides and phytochemicals from the essential oil. Theoretical methods (DFTB-MD) supported the experimental data, predicting strong interactions between key phytochemicals and the Fe surface.

This study opens the door for further exploration of conifer essential oils as sustainable corrosion inhibitors, contributing to the global shift towards green chemistry and reducing the environmental footprint in industrial applications.

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潘契奇云杉精油对盐酸钢腐蚀的自然抑制作用：实验和计算方法的启示

本研究探讨了从潘契奇云杉针叶中提取的精油作为一种创新型环保缓蚀剂的潜力，这种缓蚀剂可用于 1 M HCl 溶液中的碳钢。气相色谱/质谱和傅立叶变换红外光谱分析显示，精油富含活性有机化合物。阻抗测量显示，使用精油处理的钢材样品的电荷转移电阻值显著增加，4 小时后，当浓度为 200 ppm 时，最大抑制效率达到 93%。极化测量结果表明，这种油是一种混合型抑制剂。扫描电子显微镜表明，油明显改变了碳钢的表面形态。吸附研究遵循 Langmuir 等温线，而热力学分析表明，油中的有机成分是通过物理吸附和化学吸附相结合的方式吸附到金属表面的。XPS 证实了由铁氧化物/氢氧化物和精油中的植物化学物质组成的保护膜的存在。这项研究为进一步探索针叶树精油作为可持续缓蚀剂打开了大门，有助于全球向绿色化学转变，减少工业应用中的环境足迹。

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来源期刊

Applied Surface Science 工程技术-材料科学：膜

CiteScore

12.50

自引率

7.50%

发文量

3393

审稿时长

67 days

期刊介绍： Applied Surface Science covers topics contributing to a better understanding of surfaces, interfaces, nanostructures and their applications. The journal is concerned with scientific research on the atomic and molecular level of material properties determined with specific surface analytical techniques and/or computational methods, as well as the processing of such structures.