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新型合成的带有不同间隔基的 Gemini 型氟化阳离子表面活性剂用于 X60 钢酸洗的缓蚀特性研究:实践与计算机模拟计算

Perspectives on Corrosion Inhibition Features of Novel Synthesized Gemini-Fluorinated Cationic Surfactants Bearing Varied Spacers for Acid Pickling of X60-Steel: Practical, and In Silico Calculations.

作者信息

Shalabi Kamal, Abd El-Lateef Hany M, Hammouda Mohamed M, Osman Amany M A, Tantawy Ahmed H, Abo-Riya Mohamed A

机构信息

Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam Bin Abdulaziz University, Al-Kharj 11942, Saudi Arabia.

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

出版信息

Materials (Basel). 2023 Jul 24;16(14):5192. doi: 10.3390/ma16145192.

Abstract

Through our present study, three novel Gemini-fluorinated cationic surfactants bearing different spacers (FSG6-2, FSG6-4, and FSG6-6) were synthesized, and their structures were explained via different spectroscopic instruments such as H, C, and F NMR spectra. The surface activity of the as-prepared surfactants was examined. The inhibiting influence of FSG6 molecules on the X60 steel corrosion in the pickling solution (HCl) was examined by diverse methods comprising electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), and X-ray photoelectron spectroscopy (XPS) experimentations, and computational calculations. The inhibition effectiveness of FSG6 surfactants followed the order of 93.37% (FSG6-2) < 96.74% (FSG6-4) < 98.37% (FSG6-6) at 2.0 × 10 M. The FSG6 surfactants function as mixed-type inhibitors, according to PDP investigations. The HO molecules that adsorbed on the steel interface were substituted with surfactant molecules, and the surfactant's inhibitory activity is likely caused by the improvement in an adsorptive layer on the steel substrate, as specified by the EIS results. The Langmuir isotherm describes the absorption of FSG6 molecules on the metal surface. The XPS investigations validate the steel interface's extremely protective nature. The mechanism of interaction between FSG6 molecules with an X60-steel employing the DFT calculations and MC simulations methods was also examined and discussed.

摘要

通过我们目前的研究,合成了三种带有不同间隔基的新型 Gemini 氟化阳离子表面活性剂(FSG6-2、FSG6-4 和 FSG6-6),并通过不同的光谱仪器如 H、C 和 F NMR 光谱对其结构进行了解析。对所制备表面活性剂的表面活性进行了检测。采用多种方法,包括电化学阻抗谱(EIS)、动电位极化(PDP)和 X 射线光电子能谱(XPS)实验以及计算计算,研究了 FSG6 分子对 X60 钢在酸洗溶液(HCl)中的腐蚀抑制作用。在 2.0×10⁻³ M 时,FSG6 表面活性剂的缓蚀效率顺序为 93.37%(FSG6-2)<96.74%(FSG6-4)<98.37%(FSG6-6)。根据 PDP 研究,FSG6 表面活性剂作为混合型缓蚀剂发挥作用。吸附在钢界面上的羟基分子被表面活性剂分子取代,如 EIS 结果所示,表面活性剂的抑制活性可能是由于钢基体上吸附层的改善所致。Langmuir 等温线描述了 FSG6 分子在金属表面的吸附情况。XPS 研究证实了钢界面具有极强的保护性质。还采用 DFT 计算和 MC 模拟方法研究并讨论了 FSG6 分子与 X60 钢之间的相互作用机理。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4f85/10383753/5696d70f3f44/materials-16-05192-sch001.jpg

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