Understanding the Inhibition of Mild Steel Corrosion by Dianiline Schiff Bases: a DFT Investigation

Hachani, Salah Eddine; Necira, Zelikha; Mazouzi, Djamel  Eddine; Nebbache, Nadia

doi:10.17344/acsi.2017.3803

Cited by 6 publications

(2 citation statements)

References 33 publications

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“…In the present work, compound B possesses a higher µ value than compound A, this indicates a high I.E. [ 42 ] Electrophilicity ( ω ) data gives detailed information about the electrophilic or nucleophilic nature of the molecule. Molecules with high electrophilic value acquires the capacity to act as an electrophile, while a low electrophilicity value notifies that the molecule has a high tendency to act as a nucleophile.…”

Section: Resultsmentioning

confidence: 80%

Assessing bioorganic gum performance as a corrosion inhibitor in phosphoric acid medium: Electrochemical and computational analysis

Sathiyapriya¹,

Dhayalan²,

Jagadeeswari

et al. 2021

Materials & Corrosion

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The present investigation was aimed at exploring the anticorrosive behavior of bio‐organic Auraucaria heterophylla gum exudate (AHGE) on mild steel (MS) corrosion in 1 M phosphoric acid solution by weight loss technique, electrochemical studies, and computational analysis. Additionally, the performance was analyzed by morphological and quantum chemical analyses. The weight loss data revealed that AHGE showed 80% of inhibition efficiency at 303 K temperature. Inhibitor adsorption on MS was in line with Langmuir and Tempkin adsorption isotherms. Potentiodynamic studies showed that the investigated AHGE performed as a mixed‐type inhibitor. Electrochemical parameters like charge transfer resistance, double‐layer capacitance, and inhibition efficiency were determined and presented. Results obtained through computational analysis, scanning electron microscopy/energy dispersive X‐ray analysis, and atomic force microscopy studies were well supported by the inhibitive potential of AHGE.

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Section: Resultsmentioning

confidence: 80%

Assessing bioorganic gum performance as a corrosion inhibitor in phosphoric acid medium: Electrochemical and computational analysis

Sathiyapriya¹,

Dhayalan²,

Jagadeeswari

et al. 2021

Materials & Corrosion

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“…There is no straight relative between µ of inhibitor and its protection action [57]. The values of µ are higher for the protonated molecules than for the non-protonated molecules indicating that dipole-dipole interactions are more predominant in the interaction between the C-steel interface and the protonated form than in the interaction between the C-steel surface and the non-protonated form [58].…”

Section: Dft Calculationsmentioning

confidence: 97%

Thiocarbohydrazones Based on Adamantane and Ferrocene as Efficient Corrosion Inhibitors for Hydrochloric Acid Pickling of C-Steel

Sayed

El‐Lateef

2020

Coatings

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N′-(adamantan-2-ylidene)hydrazinecarbothiohydrazide and 2-(ferrocenyl-1-ylidene) hydrazinecarbothiohydrazide are used in coordination and organometallic complexes. The important idea of the research in this paper is the principal to prepare thiocarbohydrazones from the reaction of 2-acetylferrocene (Fe-Th) or 2-adamantanone (Ad-Th) with carbonothioic dihydrazide. The materials were elucidated by elemental analysis and spectral data. The as-prepared compounds were applied as effective corrosion inhibitors for HCl pickling of C-steel. Detailed investigations on electrochemical (open circuit potential (OCP) vs. time, potentiodynamic polarization (PDP), and impedance spectroscopy (EIS)) techniques and surface morphology studies are introduced in this work. Results indicated that Fe-Th could deliver greater inhibition performance than Ad-Th, and the highest protection capacity values of 93.6% (Ad-Th) and 97.9% (Fe-Th) were accomplished at 200 ppm. The adsorption of Ad-Th or Fe-Th additives followed the Langmuir isotherm with both the chemical and the physical adsorption with chemisorption predominance. EIS measurements supported a betterment in the capacitive behavior with the corrosion inhibitors. The inhibitors exhibited a mixed-type behavior as observed from the PDP studies. Field emission scanning electron microscopy (FESEM) and Fourier-transform infrared spectroscopy (FTIR) studies emphasize the occurrence of a protective layer of the as-synthesized organic inhibitors on the C-steel interface. Theoretical studies (density functional theory (DFT) calculations and Monte Carlo (MC) simulations) provide appropriate support for the experimental findings. The existing report provides very significant consequences in formulating and designing novel thiocarbohydrazone inhibitors with high protection efficacy.

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Corrosion inhibition of Carbon Steel using a new morpholine-based ligand during acid pickling: Experimental and theoretical studies

Rezaeivala

Bozorg

Rafiee

et al. 2023

Inorganic Chemistry Communications

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Understanding the Inhibition of Mild Steel Corrosion by Dianiline Schiff Bases: a DFT Investigation

Cited by 6 publications

References 33 publications

Assessing bioorganic gum performance as a corrosion inhibitor in phosphoric acid medium: Electrochemical and computational analysis

Assessing bioorganic gum performance as a corrosion inhibitor in phosphoric acid medium: Electrochemical and computational analysis

Thiocarbohydrazones Based on Adamantane and Ferrocene as Efficient Corrosion Inhibitors for Hydrochloric Acid Pickling of C-Steel

Corrosion inhibition of Carbon Steel using a new morpholine-based ligand during acid pickling: Experimental and theoretical studies

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