N-Methyl-N,N,N-trioctylammonium chloride as a novel and green corrosion inhibitor for mild steel in an acid chloride medium: electrochemical, DFT and MD studies

Haque, Jiyaul; Srivastava, Vandana; Verma, Chandrabhan; Lgaz, Hassane; Salghi, R.; Quraishi, M.A.

doi:10.1039/c7nj02254a

Cited by 85 publications

(50 citation statements)

References 60 publications

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“…[32][33][34] In strong corrosive electrolytic media like HCl, H 2 SO 4 , HNO 3 and H 3 PO 4 , the heteroatoms of inhibitor molecules (N, O, S, and P) easily undergo protonation because of their unshared electron pairs. [4,[35][36][37] Therefore, in such electrolytic media, inhibitor molecules (or heteroatoms) exist in the cationic/ protonated forms. [38][39][40] On the other hand, metallic surface become negatively charged because of the adsorption of counterions of electrolytes on the positively charged metallic surface.…”

Section: Interactions: Coordination Chemistrymentioning

confidence: 99%

Sulfur and phosphorus heteroatom‐containing compounds as corrosion inhibitors: An overview

Verma

Verma²,

Ebenso

et al. 2018

Heteroatom Chemistry

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139

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Use of organic compounds containing nitrogen (N), oxygen (O), sulfur (S), and phosphorus (P) heteroatoms in their molecular structures is one of the most effective, economic, and practical corrosion inhibitors. The effectiveness of the heteroatoms toward metallic corrosion inhibition follows the order: P > S > N > O. The metal‐inhibitor interactions involve the charge sharing between the heteroatoms and empty d‐orbitals of the surface metallic atoms; therefore, a heteroatom with lower electronegativity value is more potent to form strong bonding (charge sharing) with metallic surface as compared to more electronegative heteroatom. Literature study reveals that almost all corrosion inhibitors have either one or more heteroatoms in their molecular structures particularly in the form of polar functional groups, which enhance their adsorption tendency on metallic surface. Present review paper features the collection of some major works that have been published on metallic corrosion inhibition containing these P, S, O, and N heteroatoms. Since now, several review articles have been published describing the application of N and O atoms; however, the reviews on use of P and S heteroatoms are scare. Therefore, aim of the present article was to mainly describe the collection of corrosion inhibitors containing S and P heteroatoms.

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Section: Interactions: Coordination Chemistrymentioning

confidence: 99%

Sulfur and phosphorus heteroatom‐containing compounds as corrosion inhibitors: An overview

Verma

Verma²,

Ebenso

et al. 2018

Heteroatom Chemistry

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139

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“…The appositively charged species interact from each other using physisorption mechanism. On this basis, it can be concluded that DGEBA‐polyaminoamide interacts with the metallic surface by a combination of physisorption as well as chemisorption mechanisms …”

Section: Resultsmentioning

confidence: 99%

“…It is important to mention that organic coatings such as DGEBA‐polyaminoamide can interact with the metallic surface using their chemisorption or physisorption mechanism. Generally, electron‐rich centers such as heteroatoms of polar functional groups and conjugated π‐electrons of multiple bonds favor the chemisorption mechanism . These electron‐rich centers transfer their electrons into the d‐orbital of surface metallic atoms through coordination (chemical bonding).…”

Section: Resultsmentioning

confidence: 99%

“…However, the effect of other factors such as the chemical structure, orientation of the molecules in space, and molecular properties of the coatings are not clearly explored. Therefore, part of the present study is designed to demonstrate the interactions between inhibitor and metallic surface using DFT and MC simulations methods …”

Section: Introductionmentioning

confidence: 99%

“…Therefore, part of the present study is designed to demonstrate the interactions between inhibitor and metallic surface using DFT and MC simulations methods. [9][10][11][12][13][14] The computational techniques give information about the effectiveness of the metal-polymeric films interactions along with the orientation of the polymeric films on the metallic surface. Employment of the DFT in anticorrosive coating of metallic surface in NaCl medium in the presence of polymeric films is also gaining recent attention.…”

Section: Introductionmentioning

confidence: 99%

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DGEBA‐polyaminoamide as effective anti‐corrosive material for 15CDV6 steel in NaCl medium: Computational and experimental studies

Dagdag

Berisha

Safi

et al. 2019

J of Applied Polymer Sci

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117

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The present study is focusing on evaluating theoretically and experimentally stability and type of interactions between the epoxy resin bisphenol A diglycidyl ether (DGEBA)‐polyaminoamide anticorrosive coating and high strength low alloy steel surface 15CDV6. The coated steel samples were subjected to a harsh environment of an electrolyte solution of 3 wt % NaCl to simulate the corrosive marine environment. The performance of the epoxy coating was investigated using electrochemical impedance spectroscopy (EIS). The EIS results revealed the occurrence of some deterioration in the film after subjecting it to a harsh environment for 4392 h, because the impedance of the coating dropped by about 1.4 kΩ.cm2. Surface morphological study of metallic specimens before and after exposing to the simulated marine environment (3 wt % NaCl) was carried out using scanning electron microscopy, energy dispersive spectroscopy (EDS), and optical microscope (OM) methods. The interactions between DGEBA‐polyaminoamide and the metallic surface were further carried out using computation modeling such as density functional theory (DFT)‐based quantum chemical calculations, Monte Carlo (MC), and molecular dynamics (MD) simulations. Results showed that DGEBA‐polyaminoamide possesses a strong tendency to adhere and inhibits the corrosive dissolution of 15CDV6 steel surface in the stimulated marine environment. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48402.

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Ionic Liquids as Corrosion Inhibitors

Aslam

Mobin

Aslam

2021

Organic Corrosion Inhibitors

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N-Methyl-N,N,N-trioctylammonium chloride as a novel and green corrosion inhibitor for mild steel in an acid chloride medium: electrochemical, DFT and MD studies

Abstract: In the present work, N-methyl-N,N,N-trioctylammonium chloride (Aliquat 336) has been evaluated as a green and novel corrosion inhibitor for mild steel in a 1 M HCl solution.

Cited by 85 publications

References 60 publications

Sulfur and phosphorus heteroatom‐containing compounds as corrosion inhibitors: An overview

Sulfur and phosphorus heteroatom‐containing compounds as corrosion inhibitors: An overview

DGEBA‐polyaminoamide as effective anti‐corrosive material for 15CDV6 steel in NaCl medium: Computational and experimental studies

Ionic Liquids as Corrosion Inhibitors

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