Pyrazole-based schiff bases as high-performance corrosion inhibitors for mild steel: Experimental and theoretical insights

IF 6.3 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers Pub Date : 2025-08-26 DOI:10.1016/j.jtice.2025.106361

Renu Khanna , Meenakshi Dudi , Gaurav Jhaa , Hariom Dahiya

{"title":"Pyrazole-based schiff bases as high-performance corrosion inhibitors for mild steel: Experimental and theoretical insights","authors":"Renu Khanna , Meenakshi Dudi , Gaurav Jhaa , Hariom Dahiya","doi":"10.1016/j.jtice.2025.106361","DOIUrl":null,"url":null,"abstract":"<div><h3>Background</h3><div>The increasing demand for effective corrosion inhibitors for mild steel (MS) in acidic environments has led to the exploration of pyrazole-based Schiff bases (PSBs). This study evaluates the corrosion inhibition performance of two PSB derivatives in 1 M HCl at temperatures ranging from 298 to 318 K.</div></div><div><h3>Methods</h3><div>Corrosion inhibition efficiency was assessed using potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), and weight loss measurements. Surface morphology was analyzed through atomic force microscopy (AFM), field emission scanning electron microscopy (FE-SEM), and energy-dispersive spectroscopy (EDS). Contact angle (CA) measurements examined surface hydrophobicity, while activation energy and thermodynamic parameters provided insights into inhibition mechanisms. Density functional theory (DFT) and molecular dynamics (MD) simulations were employed to investigate electronic properties and adsorption behavior.</div></div><div><h3>Significant Findings</h3><div>The Schiff base derivatives, CMPNA and CMPAP, exhibited inhibition efficiencies of 95.27 % and 93.59 %, respectively, at 300 ppm and 298 K, as determined by EIS. Adsorption followed the Langmuir isotherm model, forming a protective layer via strong physical and chemical interactions. CA measurements confirmed enhanced hydrophobicity. Theoretical calculations supported experimental results, highlighting the potential of PSBs as efficient and eco-friendly corrosion inhibitors for MS protection in acidic media.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"178 ","pages":"Article 106361"},"PeriodicalIF":6.3000,"publicationDate":"2025-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of the Taiwan Institute of Chemical Engineers","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1876107025004122","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, CHEMICAL","Score":null,"Total":0}

引用次数: 0

Abstract

Background

The increasing demand for effective corrosion inhibitors for mild steel (MS) in acidic environments has led to the exploration of pyrazole-based Schiff bases (PSBs). This study evaluates the corrosion inhibition performance of two PSB derivatives in 1 M HCl at temperatures ranging from 298 to 318 K.

Methods

Corrosion inhibition efficiency was assessed using potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), and weight loss measurements. Surface morphology was analyzed through atomic force microscopy (AFM), field emission scanning electron microscopy (FE-SEM), and energy-dispersive spectroscopy (EDS). Contact angle (CA) measurements examined surface hydrophobicity, while activation energy and thermodynamic parameters provided insights into inhibition mechanisms. Density functional theory (DFT) and molecular dynamics (MD) simulations were employed to investigate electronic properties and adsorption behavior.

Significant Findings

The Schiff base derivatives, CMPNA and CMPAP, exhibited inhibition efficiencies of 95.27 % and 93.59 %, respectively, at 300 ppm and 298 K, as determined by EIS. Adsorption followed the Langmuir isotherm model, forming a protective layer via strong physical and chemical interactions. CA measurements confirmed enhanced hydrophobicity. Theoretical calculations supported experimental results, highlighting the potential of PSBs as efficient and eco-friendly corrosion inhibitors for MS protection in acidic media.

Abstract Image

查看原文本刊更多论文

吡唑基希夫碱作为高性能低碳钢缓蚀剂：实验和理论见解

对酸性环境下低碳钢（MS）有效缓蚀剂的需求不断增加，导致了吡唑基希夫碱（PSBs）的探索。本研究评估了两种PSB衍生物在1 M HCl中的缓蚀性能，温度范围为298至318 K。方法采用动电位极化（PDP）、电化学阻抗谱（EIS）和失重法评价缓蚀剂的缓蚀效果。通过原子力显微镜（AFM）、场发射扫描电镜（FE-SEM）和能量色散光谱（EDS）分析表面形貌。接触角（CA）测量检测了表面疏水性，而活化能和热力学参数提供了对缓蚀机制的深入了解。采用密度泛函理论（DFT）和分子动力学（MD）模拟研究了其电子性能和吸附行为。经EIS测定，希夫碱衍生物CMPNA和CMPAP在300 ppm和298 K下的抑制效率分别为95.27%和93.59%。吸附遵循Langmuir等温模型，通过强物理和化学相互作用形成保护层。CA测量证实疏水性增强。理论计算支持实验结果，突出了psb作为酸性介质中高效环保的质谱保护缓蚀剂的潜力。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Journal of the Taiwan Institute of Chemical Engineers 工程技术-工程：化工

CiteScore

9.10

自引率

14.00%

发文量

362

审稿时长

35 days

期刊介绍： Journal of the Taiwan Institute of Chemical Engineers (formerly known as Journal of the Chinese Institute of Chemical Engineers) publishes original works, from fundamental principles to practical applications, in the broad field of chemical engineering with special focus on three aspects: Chemical and Biomolecular Science and Technology, Energy and Environmental Science and Technology, and Materials Science and Technology. Authors should choose for their manuscript an appropriate aspect section and a few related classifications when submitting to the journal online.