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新型二元三甲氧基苯基呋喃嘧啶酮的合成及其作为酸性介质中碳钢高效可持续缓蚀剂的研究:实验、表面形貌分析及理论研究

Synthesis of new binary trimethoxyphenylfuran pyrimidinones as proficient and sustainable corrosion inhibitors for carbon steel in acidic medium: experimental, surface morphology analysis, and theoretical studies.

作者信息

Ali Hajar A, El-Hossiany Ahmed A, Abousalem Ashraf S, Ismail Mohamed A, Fouda Abd El-Aziz S, Ghaith Eslam A

机构信息

Chemistry Department, Faculty of Science, Mansoura University, Mansoura, 35516, Egypt.

Delta for Fertilizers and Chemical Industries, Talkha, Egypt.

出版信息

BMC Chem. 2024 Sep 20;18(1):182. doi: 10.1186/s13065-024-01280-6.

Abstract

In this study, synthesis and assessment of the corrosion inhibition of four new binary heterocyclic pyrimidinones on CS in 1.0 M hydrochloric acid solutions at various temperatures (30-50 °C) were investigated. The synthesized molecules were designed and synthesized through Suzuki coupling reaction, the products were identified as 5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (HM-1221), 2-thioxo-5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)dihydropyrimidine-4,6(1H,5H)-dione (HM-1222), 1,3-diethyl-2-thioxo-5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)dihydropyrimidine-4,6(1H,5H)-dione (HM-1223) and 1,3-dimethyl-5-((5-(3,4,5-trimethoxyphenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (HM-1224). The experiments include weight loss measurements (WL), electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP). From the measurements, it can be shown that the inhibition efficiency (η) of these organic derivatives increases with increasing the doses of inhibitors. The highest η recorded from EIS technique were 89.3%, 90.0%, 92.9% and 89.7% at a concentration of 11 × 10 M and 298 K for HM-1221, HM-1222, HM-1223, and HM-1224, respectively. The adsorption of the considered derivatives fit to the Langmuir adsorption isotherm. Since the ΔG values were found to be between - 20.1 and - 26.1 kJ mol, the analyzed isotherm plots demonstrated that the adsorption process for these derivatives on CS surface is a mixed-type inhibitors. Scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), atomic force microscope (AFM) and Fourier- transform infrared spectroscopy (FTIR) were utilized to study the surface morphology, whereby, quantum chemical analysis can support the mechanism of inhibition. DFT data and experimental findings were found in consistent agreement.

摘要

在本研究中,对四种新型二元杂环嘧啶酮在1.0 M盐酸溶液中于不同温度(30 - 50 °C)下对碳钢的缓蚀作用进行了合成与评估。通过铃木偶联反应设计并合成了这些分子,产物被鉴定为5 - ((5 - (3,4,5 - 三甲氧基苯基)呋喃 - 2 - 基)亚甲基)嘧啶 - 2,4,6(1H,3H,5H) - 三酮(HM - 1221)、2 - 硫代 - 5 - ((5 - (3,4,5 - 三甲氧基苯基)呋喃 - 2 - 基)亚甲基)二氢嘧啶 - 4,6(1H,5H) - 二酮(HM - 1222)、1,3 - 二乙基 - 2 - 硫代 - 5 - ((5 - (3,4,5 - 三甲氧基苯基)呋喃 - 2 - 基)亚甲基)二氢嘧啶 - 4,6(1H,5H) - 二酮(HM - 1223)和1,3 - 二甲基 - 5 - ((5 - (3,4,5 - 三甲氧基苯基)呋喃 - 2 - 基)亚甲基)嘧啶 - 2,4,6(1H,3H,5H) - 三酮(HM - 1224)。实验包括失重测量(WL)、电化学阻抗谱(EIS)和动电位极化(PDP)。从测量结果可以看出,这些有机衍生物的缓蚀效率(η)随缓蚀剂剂量的增加而提高。在浓度为11×10⁻³ M且温度为298 K时,EIS技术记录的HM - 1221、HM - 1222、HM - 1223和HM - 1224的最高η分别为89.3%、90.0%、92.9%和89.7%。所考虑的衍生物的吸附符合朗缪尔吸附等温线。由于发现ΔG值在 - 20.1至 - 26.1 kJ/mol之间,分析的等温线图表明这些衍生物在碳钢表面的吸附过程是混合型抑制剂。利用扫描电子显微镜(SEM)、能量色散X射线光谱(EDX)、原子力显微镜(AFM)和傅里叶变换红外光谱(FTIR)研究表面形态,量子化学分析可以支持缓蚀机理。发现密度泛函理论(DFT)数据与实验结果一致。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4476/11414101/4a5c1d26a1c4/13065_2024_1280_Fig1_HTML.jpg

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