Theoretical and experimental investigation for mild steel in acidic environment using isoxazole sulfonamide derivatives as anticorrosion inhibitors

Next Materials Pub Date : 2025-08-01 DOI:10.1016/j.nxmate.2025.101011

Rachid Hsissou , Ayoub El Mahmoudi , Issam Saber , Zaki Safi , Mohamed El Faydy , Fouad Benhiba , Nuha Wazzan , Nadia Dkhireche , Khalid Bougrin

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Abstract

Two isoxazoles sulfonamides namely N-butyl-2-(N-((3-(p-tolyl)isoxazol-5-yl)methyl)sulfamoyl)benzamide (IS-Cl) and N-butyl-2-(N-((3-(4-chlorophenyl)isoxazol-5-yl)methyl)sulfamoyl)benzamide (IS-CH₃) were evaluated as some corrosion inhibitors for mild steel (MS) in 1 M HCl environment. Different experimental techniques including EFM, PDP, EIS, SEM, and EDS were investigated to understand the anticorrosion properties. Furthermore, DFT, PDOS, and MDS approaches were utilized to explore the correlation between isoxazoles sulfonamides and corrosion inhibitors effectiveness. PDP measurements revealed that isoxazoles function as mixed inhibitors through adsorption on the MS samples surface. Corrosion inhibition efficiency of PDP at 10⁻³M of IS-Cl (97 %) is higher than that of the IS-CH₃ (94.9 %). The chemical adsorption process of isoxazoles sulfonamide heterocyclics were found to conform the Langmuir adsorption isotherm. Results of PDOS for the adsorption molecules onto the Fe(110) iron was used to understand and explain the inhibition mechanism.

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异恶唑磺胺衍生物在酸性环境下对低碳钢的缓蚀剂的理论与实验研究

研究了2种异恶唑类磺胺类化合物N-丁基-2-（N-（3-（对苯基）异恶唑-5-基）甲基）磺酰基)苄胺（IS-Cl）和N-丁基-2-（N-（3-（4-氯苯基）异恶唑-5-基）甲基）磺酰基)苄胺（IS-CH3）在1 M HCl环境中作为低碳钢（MS）的缓蚀剂。通过EFM、PDP、EIS、SEM和EDS等不同的实验技术来了解其防腐性能。此外，利用DFT、PDOS和MDS方法探讨了异恶唑类磺胺类药物与缓蚀剂有效性之间的相关性。PDP测量结果表明，异恶唑类化合物在质谱样品表面的吸附具有混合抑制剂的作用。在is - cl的10−3M处，PDP的缓蚀效率（97 %）高于is - ch3（94.9 %）。发现异恶唑类磺胺类杂环化合物的化学吸附过程符合Langmuir吸附等温线。利用PDOS对Fe（110）铁吸附分子的结果来理解和解释其抑制机理。

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