基于酚醛的新型双链表面活性剂的合成、结构表征及对碳钢在1 M HCl中腐蚀的抑制作用:实验和计算见解

IF 5.2 2区 化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Liquids Pub Date : 2025-04-15 Epub Date: 2025-02-10 DOI:10.1016/j.molliq.2025.127116
Hicham Zgueni , Mohammed El Mesky , Rahime Eshaghi Malekshah , Fatima Ennafaa , Mohamed Znini , El Houssine Mabrouk , Driss Chebabe
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引用次数: 0

摘要

本文的目的是合成一种新型极性头酚醛表面活性剂及其在酸性介质中对碳钢的缓蚀作用。事实上,这些化合物是由酞菁与不同的烷基卤化物(如十二烷基溴、十一烷基溴和十二烷基溴)作用合成的。所得表面活性剂PHC10、PHC11和PHC12的结构经IR、1H NMR、13C NMR和质谱证实。电化学技术,如动电位极化和电化学阻抗谱,以及SEM/EDX表面分析被用来评估这些表面活性剂的耐腐蚀性。此外,还采用分子动力学模拟和密度泛函理论等理论方法来理解表面活性剂与金属表面相互作用的机理。结果表明,合成的表面活性剂显著降低了腐蚀速率,表明其在工业环境中的应用潜力。本研究将合成化学与电化学和理论分析相结合,有助于提高防腐蚀策略。
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Synthesis, structural characterization and inhibition effects of new bicatenar surfactants based of phenolphtalein on the corrosion of carbon steel in 1 M HCl: Experimental and computational insights
The objective of this work is the synthesis of new surfactants with polar head phenolphtalein and their inhibitive effect against carbon steel corrosion in acidic medium. Indeed, These compounds were synthesized by the action of the phénolphtalein on différents alkyl halides such as decyl bromide, undecyl bromide and dodecyl bromide. IR, 1H NMR, 13C NMRand mass spectra have confirmed the structure of the obtained surfactants PHC10, PHC11 and PHC12. Electrochemical techniques such as potentiodynamic polarization and electrochemical impedance spectroscopy, as well as the SEM/EDX surface analysis are used to evaluate the corrosion resistance of these surfactants. In addition, theoretical methods including molecular dynamics simulations and density functional theory are used to understand the mechanisms of interaction between surfactants and metal surface. The obtained results show that the synthesized surfactants significantly reduce corrosion rate, suggesting their potential application in industrial environments. This study contributes to the advancement of corrosion prevention strategies by integrating synthetic chemistry with electrochemical and theoretical analyses.
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来源期刊
Journal of Molecular Liquids
Journal of Molecular Liquids 化学-物理:原子、分子和化学物理
CiteScore
10.30
自引率
16.70%
发文量
2597
审稿时长
78 days
期刊介绍: The journal includes papers in the following areas: – Simple organic liquids and mixtures – Ionic liquids – Surfactant solutions (including micelles and vesicles) and liquid interfaces – Colloidal solutions and nanoparticles – Thermotropic and lyotropic liquid crystals – Ferrofluids – Water, aqueous solutions and other hydrogen-bonded liquids – Lubricants, polymer solutions and melts – Molten metals and salts – Phase transitions and critical phenomena in liquids and confined fluids – Self assembly in complex liquids.– Biomolecules in solution The emphasis is on the molecular (or microscopic) understanding of particular liquids or liquid systems, especially concerning structure, dynamics and intermolecular forces. The experimental techniques used may include: – Conventional spectroscopy (mid-IR and far-IR, Raman, NMR, etc.) – Non-linear optics and time resolved spectroscopy (psec, fsec, asec, ISRS, etc.) – Light scattering (Rayleigh, Brillouin, PCS, etc.) – Dielectric relaxation – X-ray and neutron scattering and diffraction. Experimental studies, computer simulations (MD or MC) and analytical theory will be considered for publication; papers just reporting experimental results that do not contribute to the understanding of the fundamentals of molecular and ionic liquids will not be accepted. Only papers of a non-routine nature and advancing the field will be considered for publication.
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