Exploring the corrosion mitigation potential of N and O containing hetroatomic framework for aluminium surface: integration of experimental and theoretical approaches

IF 2.2 4区化学 Q2 Engineering

Chemical Papers Pub Date : 2025-02-11 DOI:10.1007/s11696-024-03871-y

Meng Xianwei, Yin Caihong, Kang Renmu, Hu Yao, Huang Xusheng, Liu Shiduo

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Abstract

Despite the simultaneous presence of organic materials may have technical advantages in shielding delicate metallic objects from corrosive conditions, little is known concerning the way organic compounds interact and the way the functional protective film is formed. For this purpose, pyrazole-pyran-pyrimidine derivative (PPP) was synthesized and employed as potential anti-corrosive inhibitor for aluminium (Al) in 1 M HCl. The results demonstrate that PPP has inhibitory efficiency of 96.8% at 400 mg/L. The PPP adsorption on the surface of Al follows the Langmuir adsorption isotherm, which takes into account both chemisorption and physisorption. Electrochemical impedance spectroscopy (EIS) results demonstrate that charge transfer resistance and double-layer capacitance increases and decreases with the addition of PPP. The adsorption of PPP was confirmed by the atomic force microscopy (AFM), scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and contact angle micrographs. Furthermore, density functional theory (DFT) and molecular dynamic simulation (MD) study supports the adsorption potential of PPP over the Al (111) and Al₂O₃ (111) surfaces.

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探索铝表面含N和O的异原子框架的缓蚀潜力：实验和理论方法的整合

尽管有机材料的同时存在可能在保护脆弱的金属物体免受腐蚀条件下具有技术优势，但关于有机化合物相互作用的方式和功能性保护膜形成的方式知之甚少。为此，合成了吡唑-吡喃-嘧啶衍生物（PPP），并将其作为1 M HCl中铝（Al）的潜在防腐蚀抑制剂。结果表明，在400 mg/L浓度下，PPP的抑菌率为96.8%。铝表面的PPP吸附遵循Langmuir吸附等温线，同时考虑了化学吸附和物理吸附。电化学阻抗谱（EIS）结果表明，电荷转移电阻和双层电容随PPP的加入而增大和减小。通过原子力显微镜（AFM）、扫描电镜（SEM）、x射线光电子能谱（XPS）和接触角显微镜证实了PPP的吸附作用。此外，密度泛函理论（DFT）和分子动力学模拟（MD）研究支持PPP在Al（111）和Al2O3（111）表面的吸附潜力。

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来源期刊

Chemical Papers Chemical Engineering-General Chemical Engineering

CiteScore

3.30

自引率

4.50%

发文量

590

期刊介绍： Chemical Papers is a peer-reviewed, international journal devoted to basic and applied chemical research. It has a broad scope covering the chemical sciences, but favors interdisciplinary research and studies that bring chemistry together with other disciplines.