Electronic effect vs. Molecular size effect: Experimental and computational based designing of potential corrosion inhibitors

Verma, Chandrabhan; Quraishi, M. A.; Rhee, Kyong Yop

doi:10.1016/j.cej.2021.132645

Cited by 63 publications

(19 citation statements)

References 111 publications

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“…The intermolecular attraction between the corrosion inhibitor molecules and the metal surface at lower concentrations dominates. When the maximum surface coverage is reached, a further increase of corrosion inhibitor molecules leads to the control of intermolecular repulsion, which makes corrosion inhibition less efficient 37 …”

Section: Resultsmentioning

confidence: 99%

“…When the maximum surface coverage is reached, a further increase of corrosion inhibitor molecules leads to the control of intermolecular repulsion, which makes corrosion inhibition less efficient. 37 The phase angle frequency relationship curve shows a narrow peak in the blank solution, the CTSB solution, and the solution with a low concentration of HQ-CTSB. That is, there is only a one-time constant during the corresponding electrode reaction, and thus there is a constant phase angle element in the equivalent circuit.…”

Section: Electrochemical Impedance Spectroscopymentioning

confidence: 97%

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8‐Hydroxyquinoline‐functionalized chitosan Schiff base as an efficient and environmentally friendly corrosion inhibitor for N80 steel in acidic environments

et al. 2023

J of Applied Polymer Sci

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Chitosan is an environmentally friendly biomolecule with great potential for application in metal corrosion protection. First, Chitosan benzaldehyde schiff base (CTSB) and 8‐hydroxyquinoline functionalized chitosan benzaldehyde schiff base (HQ‐CTSB) were synthesized from chitosan, benzaldehyde, and 8‐hydroxyquinoline as high‐efficiency and environment‐friendly corrosion inhibitors. The structures of the synthesized products were characterized by infrared spectroscopy. The corrosion of N80 steel was tested using electrochemical measurements and analysis by varied concentrations of CTSB and HQ‐CTSB in a hydrochloric acid solution. The PDP results confirmed that both CTSB and HQ‐CTSB corrosion inhibitors were mixed corrosion inhibitors. Furthermore, the EIS findings revealed that the corrosion inhibition efficiency of the two inhibitors was 87.11% and 98.52% at 800 mg/L, respectively. According to SEM and XPS analyses, the CTSB and HQ‐CTSB molecules bonded to the surface of N80 steel and formed a surface protective layer. Density functional theory (DFT) calculations showed that CTSB and HQ‐CTSB have multiple active sites that may become adsorbent on the metal surface. And molecular dynamics (MD) simulations showed that corrosion inhibitors CTSB and HQ‐CTSB lie flat on the surface of Fe(110). The theoretical calculation agreed well with the experimental results.

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Section: Resultsmentioning

confidence: 99%

Section: Electrochemical Impedance Spectroscopymentioning

confidence: 97%

8‐Hydroxyquinoline‐functionalized chitosan Schiff base as an efficient and environmentally friendly corrosion inhibitor for N80 steel in acidic environments

et al. 2023

J of Applied Polymer Sci

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“…The worldwide cost of corrosion, quantified at approximately $2.5 trillion in 2019, equates to roughly 3.4% of the global GDP. [ 32 ] Beyond these direct economic effects, corrosion also exerts indirect impacts, such as diminishing business competitiveness, eroding property values, and reducing government tax revenues. As an illustration, the corrosion of water supply infrastructure can impair water quality and amplify health hazards, which, in turn, can tarnish the appeal of tourist destinations and dampen local economies.…”

Section: The Impact Of Corrosion On Infrastructure: Social and Econom...mentioning

confidence: 99%

A combined experimental and theoretical study of a novel corrosion inhibitor derived from thiophen

Resen,

Jasim,

Qasim

et al. 2023

Carbon Neutralization

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In this study, we synthesized a novel corrosion inhibitor derived from thiophene and conducted a comprehensive evaluation of its inhibitory properties through both experimental and theoretical approaches. Our investigation encompassed experimental assessments employing Mass loss tests and electrochemical techniques. Additionally, we performed computational studies to delve into the electronic structure and bonding characteristics of the inhibitor, aiming to elucidate its inhibitory mechanism. Our findings revealed that the synthesized inhibitor displayed remarkable inhibitory efficiency, demonstrating its effectiveness in preventing the corrosion of mild steel. Specifically, the thiophene derivative exhibited an impressive inhibitory efficiency of 92.8%, underscoring its potential as a robust corrosion inhibitor for mild steel. Furthermore, this study delved into optimizing the conditions for employing the thiophene derivative as a corrosion inhibitor. Our investigation revealed that the most effective inhibition was achieved at a concentration of 0.5 mM and a temperature of 303 K. To elucidate the interaction between the inhibitor and the mild steel surface, we applied the Langmuir adsorption isotherm concept, shedding light on both the physical and chemical adsorption processes of the thiophene derivative on the metal's surface. Our investigations demonstrated that the addition of the inhibitor significantly reduced the corrosion rate of the metal. Our computational results further reinforced these experimental findings, indicating that the inhibitor formed stable adsorption complexes on the metal surface. This dual confirmation from experimental and computational approaches strengthens the confidence in the inhibitor's efficacy in mitigating corrosion.

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“…In recent years, ILs as efficient corrosion inhibitors have attracted great attention due to their environment friendliness. To inhibit the corrosion reaction, the functional cations of ILs could produce a protective adsorption film through electrostatic interaction or coordinate bond between a lone electron pair and an Fe atom. − Many researchers have investigated the impacts of the nature and the alkyl chain in the cations on their inhibitory property. − El-Hajjaji et al investigated the corrosion inhibition performance of 1-(3-phenoxypropyl) pyridazin-1-ium bromide for mild steel in 1 M HCl, which could reach the maximum inhibition efficiency of 91.09% at 1 mM at 298.15 K . Azeez et al found that lengthening the cationic alkyl chain length can promote the protective property of the three ILs .…”

Section: Introductionmentioning

confidence: 99%

Experimental and Theoretical Studies of the Corrosion Inhibition Performance of Fatty Acid-based Ionic Liquids for Mild Steel in 1 M HCl: Effects of the Varied Alkyl Chain Length in the Anionic Group

Wang

Jia

Wang

et al. 2022

ACS Sustainable Chem. Eng.

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Five fatty acid-based ionic liquids (FAILs) with various anionic alkyl chain lengths are synthesized, namely methyltrioctylammonium butyrate ([N 8881 ][C 4:0 ]), methyltrioctylammonium caproate ([N 8881 ][C 6:0 ]), methyltrioctylammonium octanoate ([N 8881 ][C 8:0 ]), methyltrioctylammonium laurate ([N 8881 ]-[C 12:0 ]), and methyltrioctylammonium palmitate ([N 8881 ][C 16:0 ]), to investigate the potential effects of anionic alkyl chains on their corrosion inhibition property for mild steel in 1 M HCl solution via X-ray diffraction, scanning electron microscopy, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, contact angle measurements, electrochemical measurements, and weight loss measurements. The results reflect that the FAIL inhibitor can adsorb on the surface of mild steel to form a protective film and effectively inhibit the corrosion. [N 8881 ][C 8:0 ] exhibits the optimal inhibition efficiency (96.94%) in comparison to [N 8881 ][C 4:0 ] (80.73%), [N 8881 ][C 6:0 ] (89.34%), [N 8881 ][C 12:0 ] (90.69%), and [N 8881 ][C 16:0 ] (74.42%).It is speculated that the varied anionic alkyl chain length may change the intensity of the protective film to affect the inhibition efficiency. The in-depth analysis by molecular dynamic simulation confirms that [N 8881 ][C 8:0 ] with the same anionic and cationic alkyl chain lengths shows the most ordered and compact film on the mild steel surface. The present study focuses on the effects of the anionic alkyl chain on the corrosion inhibition performance and provides novel insights into the design and development of effective and eco-friendly ionic liquids as corrosion inhibitors.

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Electronic effect vs. Molecular size effect: Experimental and computational based designing of potential corrosion inhibitors

Cited by 63 publications

References 111 publications

8‐Hydroxyquinoline‐functionalized chitosan Schiff base as an efficient and environmentally friendly corrosion inhibitor for N80 steel in acidic environments

8‐Hydroxyquinoline‐functionalized chitosan Schiff base as an efficient and environmentally friendly corrosion inhibitor for N80 steel in acidic environments

A combined experimental and theoretical study of a novel corrosion inhibitor derived from thiophen

Experimental and Theoretical Studies of the Corrosion Inhibition Performance of Fatty Acid-based Ionic Liquids for Mild Steel in 1 M HCl: Effects of the Varied Alkyl Chain Length in the Anionic Group

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