Unravelling the mechanisms of corrosion inhibition of iron by henna extract: A density functional theory study

Kumar, Dharmendr; Jain, Vinay; Rai, Beena

doi:10.1016/j.corsci.2018.07.011

Cited by 64 publications

(22 citation statements)

References 56 publications

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“…It comes out that there is a good linear relationship between the corrosion current difference and Δ N . Kumar et al set inhibition efficiency as a function of the adsorption energy. The results indicate that inhibition efficiency has good linear relation with the adsorption energy in both equilibrium configurations.…”

Section: Resultsmentioning

confidence: 99%

New surfactants N‐alkyl‐N,N‐dimethyl‐N‐(3‐thienylmethylene)ammonium bromides: Preparation and anticorrosion evaluation

Chen

Jiang

Cheng

et al. 2019

Materials & Corrosion

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A new series of N‐alkyl‐N,N‐dimethyl‐N‐(3‐thienylmethylene)ammonium bromides (designated as NTA‐n, n = 8, 10, 12, 14, and 16) were synthesized. The electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization showed that NTA‐n could protect availably X70 steel from attack of HCl with an inhibition efficiency of about 95%. And the inhibition ability follows the following sequence: NTA‐8 < NTA‐10 < NTA‐12 < NTA‐14 < NTA‐16, suggesting that prolonging alkyl chain may enhance the inhibition capacity of the molecules. Theoretical investigation backs up well the experiment results. The correlation of theoretical calculation with the experiment results illustrated clearly double logarithmic relations between the corrosion current and the computed quantum chemical parameters such as the highest occupied molecular orbital energy ( E HOMO), energy gap (ΔE), molecular volume ( ν), electronegativity ( χ), the total energy of iron crystal with the adsorbed inhibitor molecule ( E total), the interaction energy of Fe (1 0 0) surface and inhibitor molecules ( E inhibitor), while an equation resembling Hammet relation was existed between the corrosion currents and the fraction of electrons transfer (ΔN). These linear correlations suggest the relation of the inhibitor structure with its inhibition activity: long alkyl chain and electron donating groups in NTA‐n will enhance the corrosion efficiency.

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Section: Resultsmentioning

confidence: 99%

New surfactants N‐alkyl‐N,N‐dimethyl‐N‐(3‐thienylmethylene)ammonium bromides: Preparation and anticorrosion evaluation

Chen

Jiang

Cheng

et al. 2019

Materials & Corrosion

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show abstract

“…For this reason, scientists have tended to solve this major problem in different ways, and one of these ways is the use of corrosion inhibitors. [1][2][3][4][5] Several synthetic organic molecules [6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] were utilized to inhibit the corrosion of iron and steel in strong acidic media. Usually, these molecules containing heteroatoms and multiple bonds.…”

Section: Introductionmentioning

confidence: 99%

Enhancing the inhibition and adsorption performance of SABIC iron corrosion in sulfuric acid by expired vitamins. Experimental and computational approach

et al. 2021

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“…Organic corrosion inhibitors have the advantages of high efficiency, diverse functions and being environmentally benign, as compared to the inorganic counterparts such as phosphate and nitrate [11]. In general, organic inhibitors inhibit the corrosion of metals by interacting with surface atoms via adsorption through the lone pair electrons of heteroatoms (O, N, S and P), the π-orbitals in a conjugated system, electron density and the electronic structure of the molecule [12,13]. trans -Cinnamaldehyde (CA) is one of the α-, β-unsaturated aldehydes, which can be extracted from cassia bark [14].…”

Section: Introductionmentioning

confidence: 99%

Molecular Assembly between Weak Crosslinking Cyclodextrin Polymer and trans-Cinnamaldehyde for Corrosion Inhibition towards Mild Steel in 3.5% NaCl Solution: Experimental and Theoretical Studies

Fan

Zhou

et al. 2019

Polymers

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Constructing molecular assembly between a soluble cyclodextrin polymer (SCDP) and an anticorrosive component is conducive to increasing the availability of a corrosion inhibitor with low molecular polarity in aqueous solution. The SCDP was prepared via the weak crosslinking effect of glutaraldehyde using β-cyclodextrin as the subunit, whose structure was confirmed by proton nuclear magnetic resonance spectra (1H NMR), X-ray diffraction and morphology. An assembly between SCDP (host) and trans-cinnamaldehyde (guest, CA) was constructed, and the intermolecular interactions were disclosed by Fourier transform infrared spectra (FTIR). The corrosion inhibition of SCDP/CA assembly for mild steel in 3.5% NaCl solution was assessed through electrochemical and surface analyses. 1H NMR results showed that exterior hydroxyls of β-cyclodextrin were the active sites for crosslinking. Hydrogen bonds might be the binding force between SCDP and CA according to FTIR analyses. Electrochemical measurements revealed that SCDP/CA assembly could suppress both cathodic and anodic reactions and enhance the polarization impedance for mild steel in the corrosive medium with a maximum efficiency of 92.2% at 30 °C. Surface analyses showed that CA molecules could be released from the assembly followed by the energy competition mechanism, and solely adsorb on the steel surface in parallel form, which was further evidenced by theoretical modeling.

show abstract

Unravelling the mechanisms of corrosion inhibition of iron by henna extract: A density functional theory study

Cited by 64 publications

References 56 publications

New surfactants N‐alkyl‐N,N‐dimethyl‐N‐(3‐thienylmethylene)ammonium bromides: Preparation and anticorrosion evaluation

New surfactants N‐alkyl‐N,N‐dimethyl‐N‐(3‐thienylmethylene)ammonium bromides: Preparation and anticorrosion evaluation

Enhancing the inhibition and adsorption performance of SABIC iron corrosion in sulfuric acid by expired vitamins. Experimental and computational approach

Molecular Assembly between Weak Crosslinking Cyclodextrin Polymer and trans-Cinnamaldehyde for Corrosion Inhibition towards Mild Steel in 3.5% NaCl Solution: Experimental and Theoretical Studies

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