Experimental and Quantum Chemical Evaluation of 8-Hydroxyquinoline as a Corrosion Inhibitor for Copper in 0.1 M HCl

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.

show abstract

“…PA). The inhibition efficiency was calculated using the following equation:

η % = \frac{R_{ct} ‐ R_{ct}^{0}}{R_{ct}} \times 100,

where

R_{ct}^{0}

and

R_{ct}

are charge–transfer resistance in the absence and presence of different concentration of inhibitors, respectively.…”

Section: Experimental Methodsmentioning

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

View full text Add to dashboard Cite

show abstract

“…8-Hydroxyquinoline is a derived from quinoline compounds Consisting of pyridine and phenol rings, the presence of conjugated system, nitrogen and oxygen atom are probably going to encourage the adsorption of the molecule on the metal surface. The existing data about 8-hydroxyquinoline derivatives show good corrosion inhibition efficiencies [11][12][13].…”

Section: Introductionmentioning

confidence: 99%

“…Schiff bases are organic compounds demonstrated their power towards steel corrosion in acidic media resulting from the presence of their adsorptive -HC=N-group exhibiting lone pair of electrons on Nitrogen atoms and the planarity structure, they are easily synthesizable from the condensation of primary amines and carbonyl group [13,14].…”

Section: Introductionmentioning

confidence: 99%

Inhibitor effect of new azomethine derivative containing an 8-hydroxyquinoline moiety on corrosion behavior of mild carbon steel in acidic media

2018

Int. J. Corros. Scale Inhib.

View full text Add to dashboard Cite

A new Azomethine derivative namely 5-(((4-hydroxybenzylidene)amino)methyl)quinolin-8-ol (HBHQ) was synthesized and identified by different spectroscopic methods. The product was assessed in the inhibition of corrosion of carbon steel (CS) in 1 M HCl using Tafel polarization, weight loss and electrochemical impedance spectroscopy. Their property anticorrosion is relative in concentrations and achieved 92% at the optimum concentration of 10-3 M. Polarization studies showed that that the newly synthesized inhibitor was of mixed type in nature. The EIS data bring that, the development of a protective layer of azomethine derivative increase the charge transfer resistance and decreases in the double layer capacitance of carbon steel in acid medium. The adsorption process at interface of carbon steel in hydrochloric acid by HBHQ was studied at different temperatures (298-338 K) by means of Tafel polarisation measurements. The adsorption of azomethine derivative on the carbon steel (CS) surface followed Langmuir adsorption isotherm and in order to discover the mode of adsorption process, various thermodynamic and activation parameters were evaluated. Quantum chemical calculations were performed using methods based on density functional theory (DFT/B3LYP) and Monte Carlo simulations (MCs). Indeed, the results obtained by this computation reflect a good agreement with the practical part.

show abstract

“…The study leads to the determination of possible interaction and adsorption efficiencies of the inhibitor molecules on Al, without the use of actual, possibly toxic chemicals. Previous research showed that density functional theory (DFT) along with Monte Carlo simulations are powerful approaches for developing an understanding of the interaction between metal surfaces and inhibitor molecules …”

Section: Introductionmentioning

confidence: 99%

“…Previous research showed that density functional theory (DFT) along with Monte Carlo simulations are powerful approaches for developing an understanding of the interaction between metal surfaces and inhibitor molecules. [22][23][24][25][26][27][28][29][30][31] It is important to specify that to the best of our knowledge, IVE is explored for the first time as a corrosion inhibitor for Al in this work. During the computational study, inhibitor molecules were divided into three classes according to the functional group present in their structures.…”

Section: Introductionmentioning

confidence: 99%

Experimental and computational evaluation of illicium verum as a novel eco‐friendly corrosion inhibitor for aluminium

Ladha

Shah

Ghelichkhah

et al. 2017

Materials & Corrosion

View full text Add to dashboard Cite

Illicium verum extract is investigated as a corrosion inhibitor of aluminium in the presence of an acid medium using gravimetric and impedance techniques. The gravimetric results reveal that the adsorption of inhibitor on the metal surface is physisorption. The impedance measurements are used to interpret the electrochemical process occurring at the interface of aluminium and corrosive medium. The surface characteristics of aluminium are evaluated using scanning electron microscopy-energy dispersive X-ray spectroscopy. The percentage composition of chemical constituents present in the extract is obtained using gas chromatographymass spectrometry and E-anethole is found to be the main chemical component. The interaction between the chemical constituents or inhibitor molecules and the metal surface are evaluated using Monte Carlo simulation. The determination of electron density on the inhibitor molecules is performed using density functional theory. The results from this respective study demonstrate good inhibitive properties of the illicium verum extract towards the corrosion of aluminium in concentrated hydrochloric acid solution. K E Y W O R D Saluminium, corrosion inhibition, illicium verum extract, Monte Carlo simulation, electrochemical impedance spectroscopy 1 | INTRODUCTION Aluminium (Al) and its alloys are widely used, in the field of automotive, and aerospace engineering, packaging, and in other mechanical and engineering industries due to their lightweight, low cost, good mechanical strength and corrosion resistive properties. Al is resistant to corrosion due to the formation of stable aluminium oxide protective film over its surface in the presence of oxygen. However, the metal is corrosion resistant for engineering purposes only within the pH range of 4.5-8.5. [1] As the pH range is disturbed above or below this range, the metal undergoes rapid corrosion. During pickling and etching processes, Al comes into contact of acid solution having pH ranging between 1 and 3, which causes significant loss of the metal due to dissolution to form Al +3 . For pH, greater than 8.5, Al dissolves to form [Al(OH) 4 ] − . To reduce the corrosion rate of Al, appropriate inhibitors can be used in the pickling and etching solutions. [2][3][4][5] Inhibitors protect the metal by adsorbing onto the surface to form an adsorbed, dielectric barrier between the metal and the solution. As per the literature, the presence of hetero atoms and π-electrons in an inhibitor molecule is the basic criteria for determining good inhibitor behaviour. [6] There are various experimental findings to support this position, such as studies

show abstract

Experimental and Quantum Chemical Evaluation of 8-Hydroxyquinoline as a Corrosion Inhibitor for Copper in 0.1 M HCl

Cited by 137 publications

References 52 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

Inhibitor effect of new azomethine derivative containing an 8-hydroxyquinoline moiety on corrosion behavior of mild carbon steel in acidic media

Experimental and computational evaluation of illicium verum as a novel eco‐friendly corrosion inhibitor for aluminium

Contact Info

Product

Resources

About