A theoretical study on the inhibition efficiencies of some quinoxalines as corrosion inhibitors of copper in nitric acid

Zarrouk, A.; Hammouti, B.; Dafali, A.; Bouachrine, Mohammed; Zarrok, H.; Boukhris, Saı̈d; Al-Deyab, Salem S.

doi:10.1016/j.jscs.2011.09.011

Cited by 127 publications

(61 citation statements)

References 25 publications

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Section: Introductionmentioning

confidence: 99%

“…[1][2][3][4][5] Mild steels have been extensively employed in many industrial fields due to their interesting properties, easy fabrication and low cost. 6 However, they are sensitive to corrosion phenomenon, and become an environmental problem.…”

Section: Introductionmentioning

confidence: 99%

“…In fact, heterocyclic compounds containing nitrogen, oxygen sulfur, and phosphorous have been extensively reported for their effectiveness in this field. 2,4,[12][13][14][15][16][17][18][19][20][21][22][23][24][25] Such important characteristic contributes to the adsorption phenomena on the metal surface 15 and organic molecules containing functional groups showed to be efficient corrosion inhibitors, such as amino group which act as inhibitor on metal surfaces. On the other hand, molecular solubility and degradation aspects also must be taken into account.…”

Section: Introductionmentioning

confidence: 99%

“…26 Quinoxaline (benzopyrazine) derivatives are extensively reported in literature due some relevant application such as: biological effects, 27 advanced luminescent and material property, 28 as well as corrosion inhibitors. 2,4,[20][21][22][23][24][25] Relative to this latter application, Figure 1 shows examples of quinoxaline derivatives found as good corrosion inhibitors on mild steel.The aim of this study is to report the inhibitory ability of the compound 2-(2,3-dihydro-[1,4] oxazino[2,3-b]quinoxalin-4-yl) ethanol (OAQX) against corrosion of AISI 1018 mild steel, in saline conditions. The benzopyrazine OAQX derivative (Figure 1) was chosen because it is structurally suitable on the referred purpose due to the different Lewis basic sites which could strongly coordinate with metallic materials.…”

mentioning

confidence: 99%

“…In addition, a theoretical study was performed in attempt to give support to the observed experimental data and corroborate to the computational calculations importance since it has been used as a relevant tool in the corrosion field. 2,4,20,23,25 Specifically, OAQX was theoretically investigated for its optimized geometry, electronic density aspects, HOMO-LUMO energy gap and binding energy. …”

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Experimental and Theoretical Analysis of an Oxazinoquinoxaline Derivative for Corrosion Inhibition of Aisi 1018 Steel

et al. 2017

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The inhibitory ability of an oxazinoquinoxaline derivative (OAQX) against the corrosion of AISI 1018 mild steel induced by aqueous 0.6 mol L -1 NaCl solution is herein evaluated. Linear polarization resistance studies showed the inhibitory efficiency of OAQX varying from 62.75% to 75.93% with OAQX concentration ranged from 0.259 x 10 -4 mol L -1 to 3.243 x 10 -4 mol L -1 . Aiming at to investigate the Tafel curves on the OAQX electrochemical behavior at saline (0.6 mol L -1 NaCl) aqueous media the linear Tafel segments of anodic and cathodic curves were extrapolated to the intersection point which afforded corrosion potential (E corr ) and corrosion current density (i corr ) data. By applying Tafel approach the efficiency of OAQX ranges from 55.30% to 87.60%. In both analysis Langmuir isotherm lead to optimized adsorption parameter. The adsorption mechanism of OAQX is proposed from FTIR experiments and quantum calculations. The theoretical employed method is hybrid B3LYP combined with 6-311++G(d,p). Theoretical results showed OAQX as a promising inhibitor that form a stable protective metal-ligand film on metal surfaces, and differs from several heterocyclic compounds due to its solubility in small amount of DMSO (0.627 x 10 -4 mol L -1 ) which is resistant to a saline aqueous media (0.6 mol L -1 NaCl).Keywords: oxazinoquinoxaline derivative; corrosion inhibitor; linear polarization resistance; FTIR analysis; modeling studies. INTRODUÇÃOCorrosion is one of the main problems found in several industrial processes since it leads to material failure and this damage cause several consequences, including pollution, risks of accidents and financial losses. [1][2][3][4][5] Mild steels have been extensively employed in many industrial fields due to their interesting properties, easy fabrication and low cost. 6 However, they are sensitive to corrosion phenomenon, and become an environmental problem. In this sense, it is important to focuses on the demand for fossil fuels from which a major application of mild steels arrives from their use in the petroleum industry. Since the largest oil sources are located underground in oceans and seas, corrosion of these materials by saline conditions has been attracting considerable attention. [7][8][9][10] The addition of a corrosion inhibitor in the corrosive medium is one of the most common approaches to control corrosion process. 11 In this context, since mild steels are basically composed of metallic atoms (iron, manganese, copper, among others) the choice of a corrosion inhibitor especially comes from its electron donation ability or electrostatic interaction. The chemical structure of organic compounds contain elements like oxygen, sulfur, nitrogen as well as π bonds, which shows high electron density. In fact, heterocyclic compounds containing nitrogen, oxygen sulfur, and phosphorous have been extensively reported for their effectiveness in this field. 2,4,[12][13][14][15][16][17][18][19][20][21][22][23][24][25] Such important characteristic contributes to the adsorption phenom...

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%

mentioning

confidence: 99%

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Experimental and Theoretical Analysis of an Oxazinoquinoxaline Derivative for Corrosion Inhibition of Aisi 1018 Steel

et al. 2017

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Tailoring Hierarchical Zeolites with Designed Cationic Surfactants and Their High Catalytic Performance

Zhang

Liu

et al. 2017

Chemistry An Asian Journal

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Three hierarchical porous zeolites (H-*BEA, H-MTW, and H-*MRE) were successfully synthesized with the assistance of designed cationic surfactants under hydrothermal synthesis conditions. The as-synthesized zeolite samples can be easily regulated by changing the number of long hydrophobic n-alkyl chains. Also, we investigated the relationship between the length of the surfactant and the formation of the microporous structure of the zeolite. Furthermore, the alkylation of benzene with propene was performed as a probe reaction to evaluate the catalytic performance of the synthesized hierarchical zeolites. The resulting materials were characterized by using a complementary combination of techniques, that is, X-ray powder diffraction, N adsorption-desorption isotherms, scanning electron microscopy, transmission electron microscopy, Fourier transform IR spectroscopy, Si and Al MAS NMR spectroscopies, thermogravimetric analysis, and computer simulation. These analysis results indicated that quaternary ammonium surfactants acted as organic structure-directing agents (OSDAs) in the formation of these hierarchical zeolite samples, whether the surfactant had long hydrophobic tail groups or not. The simulation results indicated that the organic molecules with no long hydrophobic chain could lead to the synthesis of zeolite through charge control, and the hydrophobic molecules with long hydrophobic chains could form zeolites through orbital control. These hierarchical zeolites showed improved catalytic activity towards the industrially relevant alkylation of benzene with propene compared with conventional zeolites with the same frameworks. More importantly, the success of using quaternary ammonium surfactants with no hydrophobic n-alkyl tail group in the synthesis of hierarchically structured mesoporous zeolites provides a new pathway for the synthesis of hierarchical porous materials by a soft-templating method.

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Quantitative structure–activity relationship model for prediction study of corrosion inhibition efficiency using two‐stage sparse multiple linear regression

Al-Fakih

Algamal

Lee

et al. 2016

Journal of Chemometrics

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A new quantitative structure-activity relationship (QSAR) of the inhibition of mild steel corrosion in 1 M hydrochloric acid using furan derivatives was developed by proposing two-stage sparse multiple linear regression. The sparse multiple linear regression using ridge penalty and sparse multiple linear regression using elastic net (SMLRE) were used to develop the QSAR model. The results show that the SMLRE-based model possesses high predictive power compared with sparse multiple linear regression using ridge penalty-based model according to the mean-squared errors for both training and test datasets, leave-one-out internal validation (Q 2 int = 0.98), and external validation (Q 2 ext = 0.95). In addition, the results of applicability domain assessment using the leverage approach reveal a reliable and robust SMLRE-based model. In conclusion, the developed QSAR model using SMLRE can be efficiently used in the studies of corrosion inhibition efficiency.

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A theoretical study on the inhibition efficiencies of some quinoxalines as corrosion inhibitors of copper in nitric acid

Cited by 127 publications

References 25 publications

Experimental and Theoretical Analysis of an Oxazinoquinoxaline Derivative for Corrosion Inhibition of Aisi 1018 Steel

Experimental and Theoretical Analysis of an Oxazinoquinoxaline Derivative for Corrosion Inhibition of Aisi 1018 Steel

Tailoring Hierarchical Zeolites with Designed Cationic Surfactants and Their High Catalytic Performance

Quantitative structure–activity relationship model for prediction study of corrosion inhibition efficiency using two‐stage sparse multiple linear regression

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