Corrosion inhibition of N80 steel in 15% HCl by pyrazolone derivatives: electrochemical, surface and quantum chemical studies

Ansari, K.R.; Quraishi, M.A.; Singh, Ambrish; Ramkumar, Sowmya; Obote, Ime B.

doi:10.1039/c5ra25441h

Cited by 134 publications

(56 citation statements)

References 47 publications

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“…A greater E a value obtained in the presence of inhibitor is indicative of an increase in the thickness of the double layer, which leads to an increase in the activation energy barrier for the corrosion process. 43,44 In literature, the observed increase in the activation energy values in the presence of a corrosion inhibitor is generally attributed as a result of the physical adsorption. 45 However, the adsorption process cannot be solely classied as purely physical adsorption which is the rst stage of adsorption nor it can be classied as purely chemical adsorption.…”

Section: Computational Studiesmentioning

confidence: 99%

Triazole-modified chitosan: a biomacromolecule as a new environmentally benign corrosion inhibitor for carbon steel in a hydrochloric acid solution

et al. 2019

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Section: Computational Studiesmentioning

confidence: 99%

Triazole-modified chitosan: a biomacromolecule as a new environmentally benign corrosion inhibitor for carbon steel in a hydrochloric acid solution

et al. 2019

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“…The inhibition efficiency obtained for EA and FA is 96.38 and 96.36% respectively. To define the capacitance of the depressed Nyquist semicircles, in the place of a pure capacitor, a non-ideal capacitor is introduced in the circuit (defined as constant-phase element: CPE) whose impedance is given by [31][32][33]:…”

Section: Electrochemical Impedance Spectroscopymentioning

confidence: 99%

Expired atorvastatin drug as corrosion inhibitor for mild steel in hydrochloric acid solution

et al. 2017

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The application of expired drugs as corrosion inhibitors provides a cost effective and environmentally benign alternative to otherwise tedious and costly disposal/ degradation process. In this context, we herein investigate the use of expired atorvastatin (EA) for corrosion inhibition of mild steel in 1 M HCl solution using weight loss, electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization (Tafel) methods. Fresh atorvastatin (FA) drug was also used for above studies for comparison purpose to understand whether there is any significant difference between the inhibition efficiency of the two after the expiration date of the drug. EIS analysis shows an increase in polarization resistance due to the adsorbed inhibitor molecules on metal surface. Potentiodynamic polarization indicates that both the EA and FA act as mixed-type inhibitors but predominantly behave as cathodic inhibitors. The adsorption of EA and FA on mild steel surface follows the Langmuir adsorption isotherm. SEM shows a smoother surface of mild steel in the presence of FA and EA drug in acidic solution. Both the fresh drug and its expired counterpart showed almost similar results in all the studies, thereby verifying the validity of the expired atorvastatin drug as a novel and efficient corrosion inhibitor for mild steel.

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“…The adsorption energy is the addition of rigid adsorption and deformation energies of the adsorbate component. Higher negative adsorption energy values indicate a more stabilized and stronger interaction between a metal and an inhibitor molecule [16,50]. It can be seen from the results in Table 6 that the adsorption energies of the four natural thiazole derivatives investigated followed the order: ATZ > TMTZ SFR > ISTZ.…”

Section: Monte Carlo Simulations Resultsmentioning

confidence: 60%

Corrosion Inhibition Perfomance of Four Natural Thiazole Derivatives: Quantum Chemical and Monte Carlo Simulation Studie

Dao¹

2018

JST

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Some thiazole derivatives: 2-acetyl-thiazole, 2-isobutyl-thiazole, 4-methyl-5-(2-hydroxyethyl)-thiazole, 2,4,5-trimethyl-thiazole used as corrosion inhibitors for iron were calculated at DFT-PBEPBE/6-31+G(d,p) level of theory and by Monte Carlo simulations. Quantum chemical parameters such as EHOMO, ELUMO, and HOMO and LUMO energy gap, chemical potential ( ), electronegativity , global hardness , softness (S), dipole moment and electrophilicity index have been calculated and discussed in detail to evaluate their inhibiting effectiveness. Mulliken-charges distribution and Fukui function were also calculated in order to visualize the reactive sites of the inhibitor molecules. Calculated results show that 2-acetyl-thiazole represents as the most efficient corrosion inhibitor. The -C4=C5-atomic center of thiazole ring demonstrates as the adsorption site in reaction with metallic surface. Corrosion inhibition effectiveness can be classified in decreasing order: ATZ > TMTZ SFR > ISTZ. Adsorption energies and interaction configurations of the four thiazole derivatives on Fe (110) were obtained using the Monte Carlo simulations. The results indicate that sulphur and nitrogen atoms as well as π-electronic systems within the thiazole ring aided the interaction between the inhibitor molecules and the Fe surface. All the four thiazole molecules adsorbed in parallel orientations on Fe (110) surface which ensures strong interactions with Fe. The adsorption energies were in accord with the results obtained using quantum chemical calculations.

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Corrosion inhibition of N80 steel in 15% HCl by pyrazolone derivatives: electrochemical, surface and quantum chemical studies

Abstract: The corrosion protection of N80 steel in 15% HCl using 2-(3-amino-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)(p-tolyl)methyl)malononitrile (PZ-1) and 2-((3-amino-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methyl)malononitrile (PZ-2) has been investigated.

Cited by 134 publications

References 47 publications

Triazole-modified chitosan: a biomacromolecule as a new environmentally benign corrosion inhibitor for carbon steel in a hydrochloric acid solution

Triazole-modified chitosan: a biomacromolecule as a new environmentally benign corrosion inhibitor for carbon steel in a hydrochloric acid solution

Expired atorvastatin drug as corrosion inhibitor for mild steel in hydrochloric acid solution

Corrosion Inhibition Perfomance of Four Natural Thiazole Derivatives: Quantum Chemical and Monte Carlo Simulation Studie

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