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Carissa Macrocarpa Extract (ECM) As a New Efficient and Ecologically Friendly Corrosion Inhibitor for Copper in Nitric Acid: Experimental and Theoretical Approach

JOURNAL OF THE TAIWAN INSTITUTE OF CHEMICAL ENGINEERS(2023)

Ibn Zohr Univ | Southwest Petr Univ

Cited 12|Views15
Abstract
Background: To prevent metals from corroding faster, corrosion inhibitors form in the environmental medium and emerge at the right concentrations. The current inhibitors on the market have certain shortcomings. It is therefore necessary to find a new type of corrosion inhibitor that is cheaper, ecofriendly and effectively prevents corrosion. Methods: In this work, an efficient and eco-friendly Carissa macrocarpa leaf extract (ECM) was investigated by weight loss and electrochemical measurement, subsequently; the surface morphology of copper treated with HNO3(with and without ECM) was characterized by SEM coupled with EDS and FTIR Analysis. In order to explore the adsorption potential and the reactive atomic regions of organic compounds in ECM, extensive theoretical explorations at electronic and atomic levels were carried out using electronic-structure density functional theory (DFT) and Monte Carlo (MC). Significant findings: The experimental findings demonstrate the cathodic type inhibitory properties of the ECM, and the corrosion inhibition effect is above 91%. The mechanism of inhibition of Cu by ECM is described in detail. Furthermore, the ECM extract has good inhibitory efficiency over a broad temperature range, from 298 to 333 K. The computed thermodynamic parameters revealed that the extract's adsorb on the copper surface was spontaneous and under physico-chemical processes control. In addition, it is found that the activation complex is formed by the binding of Cu+ and ECM in the adsorption layer. Molecular modeling highly asserted the preference of the ECM extract molecules for adsorption onto the copper surface and DFT explorations emphasized that oxygen heteroatoms behaved as relevant local sites for molecular adsorption.
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Key words
Corrosion inhibitor,Copper,Carissa macrocarpa,FTIR,Quantum chemistry approach,MC simulation
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要点】:论文提出了一种新型高效且生态友好的腐蚀抑制剂Carissa macrocarpa叶提取物(ECM),对铜在硝酸中的腐蚀抑制效率超过90%,并通过实验和理论方法深入探讨了其作用机制。

方法】:作者采用实验和理论计算相结合的方法,研究了ECM的主要成分与铜表面的结合信息。

实验】:实验部分使用了ECM作为腐蚀抑制剂,在硝酸介质中对铜的腐蚀行为进行研究,并通过量子化学计算进一步分析了抑制过程,具体数据集名称未在摘要中提及。实验结果显示ECM表现出显著的腐蚀抑制效果,且作用方式为阴极特性。