Correlating electronic structure with corrosion inhibition potentiality of some bis-benzimidazole derivatives for mild steel in hydrochloric acid: Combined experimental and theoretical studies

Dutta, Alokdut; Saha, Sourav Kr.; Banerjee, Priyabrata; Sukul, Dipankar

doi:10.1016/j.corsci.2015.05.065

Cited by 257 publications

(69 citation statements)

References 47 publications

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“…Accordingly, the LI particles settle on the anodic spots and guard the steel from unembellished disbanding. At small loads, the coverage surface is imperfect, hence diminution of i corr with an upsurge in the inhibitor load, foremost to the upsurge in superficial coverage of the corrosion inhibitor [61].…”

Section: Potentiodynamic Polarization Test Resultsmentioning

confidence: 99%

Optimization of the Influencing Variables on the Corrosion Property of Steel Alloy 4130 in 3.5 wt.% NaCl Solution

El-Shamy

El-Hadek

Nassef

et al. 2020

Journal of Chemistry

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In this work, the aqueous Lawsonia inermis extract (LI) is investigated as an economic and green deterioration inhibitive formula for steel alloy 4130 in 3.5 wt.% NaCl solutions. The water-based extraction process is considered as one of the cheapest techniques for preparation of active ingredients of natural products. These ingredients play an important role in corrosion mitigation of steel alloy 4130 in saline media. This extract was subjected to three different parameters: inhibitor concentration, rotation speed, and temperature in 3.5 wt.% NaCl solutions. The electrochemical techniques are used to perceive the corrosion behavior, and the obtained results were dedicated to theoretical explorations to assess the features of corrosion inhibition and the adsorption over the steel substrate in 3.5 wt.% NaCl solutions. Affording to the electrochemical techniques of LI showed very promising results against corrosion depending on the inhibitor concentrations. The inhibition efficiency of LI was additionally appraised at three diverse temperatures, and the results disclosed that the inhibition efficiency is decreased. Additionally, the theoretical aspects illuminated that the main active ingredients of LI have a proclivity to coagulate on the steel substrates allowing these areas to paradigm a protecting layer on the steel surfaces. This behavior is in provision of investigational results. Statistical studies were used to examine the consequence of chief constraints (i.e., inhibitor concentration, temperature, and rotation speed) on the inhibition efficiency and the rate of corrosion of steel alloy 4130. The inhibitive effect of LI in contradiction of the corrosion of steel alloy 4130 surfaces is considered by resources of DFT/6-31G(d) calculations. The quantum chemical parameters interrelated to the inhibition efficiency are considered.

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Section: Potentiodynamic Polarization Test Resultsmentioning

confidence: 99%

Optimization of the Influencing Variables on the Corrosion Property of Steel Alloy 4130 in 3.5 wt.% NaCl Solution

El-Shamy

El-Hadek

Nassef

et al. 2020

Journal of Chemistry

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“…32 I corr values were found to decrease for increased PANI/CTS concentrations, which was due to a greater fraction of the steel surface being covered. [33][34][35][36] Increasing the concentration of PANI/CTS resulted in decreased corrosion rates due to more reaction sites on the steel surface inhibitor being covered through a geometric blocking process. 37…”

Section: Potentiodynamic Polarizationmentioning

confidence: 99%

Polyaniline/chitosan as a corrosion inhibitor for mild steel in acidic medium

Kong

Chen

et al. 2019

RSC Adv.

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“…High inhibition efficiency is expected for the molecules having lower electronegativity because they could easily donate their electrons to the metal surface. 31 Table 2 gives the calculated electronegativity (χ) data of the studied molecules, it is clear that the calculated electronegativity values exhibit the tendency: SDAA > DAA > MDAA > ODAA, which does not correlate with the experimental inhibition efficiency results. Global hardness (η) is a measure of molecule resistance towards electron cloud polarization or deformation of molecules under small perturbations of the chemical reaction.…”

Section: Daamentioning

confidence: 93%

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

Hachani¹,

Necira²,

Mazouzi³

et al. 2018

ACSi

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Quantum chemical calculations at DFT/B3LYP level of theory with 6-31G, 6-311G, and 6-311G(d,p) basis sets were done to correlate the inhibition of mild steel corrosion in 1 M H 2 SO 4 by four dianiline Schiff bases namely N,N'-Bis(benzylidene)-4,4'-dianiline (DAA), N,N'-Bis (benzylidene)-4,4'-methylenedianiline (MDAA), N,N' Bis(benzylidene)-4,4'-sulphonyldianiline (SDAA) and N,N'-Bis(benzylidene)-4,4'-oxydianiline (ODAA) with their electronic and structural properties. Quantum chemical parameters such as the E HOMO , E LUMO , energy gap (∆E), dipole moment (µ), global softness (σ), and global hardness (η) were calculated and discussed to provide valuable explanations for the reactivity and selectivity of the studied inhibitors. The results obtained showed a certain relationship to the experimental inhibition efficiency results earlier reported.

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Correlating electronic structure with corrosion inhibition potentiality of some bis-benzimidazole derivatives for mild steel in hydrochloric acid: Combined experimental and theoretical studies

Cited by 257 publications

References 47 publications

Optimization of the Influencing Variables on the Corrosion Property of Steel Alloy 4130 in 3.5 wt.% NaCl Solution

Optimization of the Influencing Variables on the Corrosion Property of Steel Alloy 4130 in 3.5 wt.% NaCl Solution

Polyaniline/chitosan as a corrosion inhibitor for mild steel in acidic medium

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

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