Experimental, quantum chemical and molecular simulation studies on the action of arylthiophene derivatives as acid corrosion inhibitors

Fouda, Abd El‐Aziz S.; Ismail, Mohamed A.; Al-Khamri, Abdulraqeb A.; Abousalem, Ashraf S.

doi:10.1016/j.molliq.2019.111178

Cited by 46 publications

(20 citation statements)

References 75 publications

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“…Consequently, the inhibition efficiency (IE %) increases reaching its maximum values 89 and 96.6 % at 1 g/L for the HMP and PMP respectively. This increase marked in the case of PMP is presumably because the benzene ring which gives him more electron density so more able to be adsorbed on the surface of the steel 30 . By the addition of inhibitors, a modest shift of corrosion potential toward the negative values compared to those in the uninhibited solution was induced.…”

Section: Potentiodynamic Polarization Curvesmentioning

confidence: 91%

“…The increase in inhibition efficiency with an increase in temperature may be attributed to the increased adsorption of inhibitor molecules from the metal surface and the inhibitory effect of each inhibitor is reinforced at elevated temperature. An increase in inhibition efficiency with increasing inhibitor concentration and increased efficiency with an increase in temperature is suggestive of the chemical adsorption mechanism 30 .…”

Section: Electrochemical Impedance Spectroscopy (Eis)mentioning

confidence: 93%

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Experimental and theoretical study on corrosion inhibition of new synthesized menthone derivatives (Menthopyrazole compounds) for mild steel in 1 M HCl solution

Ansari¹,

Manssouri²,

Znini³

et al. 2020

Mediterr.J.Chem.,

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The aim of the present work is to evaluate the protective ability of newly menthone derivatives 7-isopropyl-4-methyl-4,5,6,7-tetrahydro-1H-indazole (HMP) and 7-isopropyl-4-methyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazole (PMP) as mild steel corrosion inhibitors in 1M HCl, which may get applications as eco-friendly corrosion inhibitors in acidizing processes in the industry. The corrosion attitude of mild steel at various concentrations of the inhibitors was examined in the range from 298 to 328 K. An increase in the inhibitory effectiveness in acidic solution at higher concentration and temperature follow the existence of inhibitors. The aspect of adsorption mixed type of inhibitors was highlighted by the Polarization curves. The adsorption of HMP and PMP is in line with the Langmuir isotherm model. Theoretical indices study of both inhibitors (HMP and PMP) via CDFT (the conceptual density functional theory) has been studied. To search for the best spatial configuration of steel/inhibitor a Monte Carlo simulation studies were applied.

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Section: Potentiodynamic Polarization Curvesmentioning

confidence: 91%

Section: Electrochemical Impedance Spectroscopy (Eis)mentioning

confidence: 93%

Experimental and theoretical study on corrosion inhibition of new synthesized menthone derivatives (Menthopyrazole compounds) for mild steel in 1 M HCl solution

Ansari¹,

Manssouri²,

Znini³

et al. 2020

Mediterr.J.Chem.,

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“…Langmuir is found to be the best isotherm by far that fits the experimental data collected for the tested corrosion inhibitor. It means that the adsorption of the CAPB molecule would be described by two main types of interaction: physical adsorption and chemisorption, that are influenced by the nature and charge of the metal, the molecular structure of the inhibitor and the type of electrolyte [44][45]. The Langmuir isotherm relates C inh and ϴas follows [46][47]:…”

Section: Adsorption Isotherm and Thermodynamic Calculationsmentioning

confidence: 99%

Caprylamidopropyl Betaine as a highly efficient eco-friendly corrosion inhibitor for API X120 steel in 1 M H2SO4

et al. 2019

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C ORROSION inhibition of API X120 steel in a 1M sulfuric acid solution at altered temperatures was investigated utilizing a new eco-friendly surfactant (Caprylamidopropyl Betaine (CAPB)) by Gravimetric and electrochemical test (containing potentiodynamic polarization (PP), electrochemical impedance spectroscopy (EIS). Surface characterization tests containing scanning electron microscopy (SEM), and atomic force microscopy (AFM) are utilized in the study. In addition, kinetic and thermodynamic parameters were measured and discussed. The overall results displayed that the corrosion rate of API X120 steel was significantly lowered with improving the temperature. The polarization curves lead to the CAPB inhibitor is influenced both anodic and cathodic reactions (mixed type inhibitor). Analyses of the surface topography designated an appreciable decrease in the surface roughness as the dose of the inhibitor in the solution improved. Energy-dispersive X-ray and X-ray photoelectron spectroscopy revealed the presence of adsorbed nitrogen atoms on the API X 120 steel surfaces. This work provides a promising eco-friendly inhibitor for mitigating the corrosion of API X120 steel in highly acidic brine environments.

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“…It has been shown that corrosion inhibition is influenced by different factors like type of corrosive material, chemical essence of the metal and structure of the chemical component applied as active inhibitor. These parameters are directly associated with adsorption capability and the nature of the interaction between metal and inhibitor 13 – 15 .…”

Section: Introductionmentioning

confidence: 99%

Simulation and surface topology of activity of pyrazoloquinoline derivatives as corrosion inhibitor on the copper surfaces

Razavi

Zahedifar

Ahmadi

2021

Sci Rep

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In the present study, corrosion inhibition performances of some pyrazolo [3,4-b] quinoline-3,5-dione derivatives against the corrosion of copper metal were investigated using B3LYP/6-311++g(d,p) calculation level in aqueous media. Additionally, interaction energies were calculated for all the pyrazoloquinoline derivatives compounds. In the calculations it is observed that studied molecules adsorb on metal surface with the help of electron donor heteroatoms in their molecular structures. Chemical thermodynamic parameters regarding the interaction between inhibitor molecule and copper surface were estimated and discussed. Density of the electron profile analysis and chemical electrostatic potential of nuclear charges in the molecule were applied to consider the nature of a number of probable interactions between Cu metal surface and inhibitors in terms of bond critical point (BCP). Calculated quantum chemical parameters showed that the pyrazoloquinoline derivatives including the OH and NO2 exhibit high inhibition performance.

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Experimental, quantum chemical and molecular simulation studies on the action of arylthiophene derivatives as acid corrosion inhibitors

Cited by 46 publications

References 75 publications

Experimental and theoretical study on corrosion inhibition of new synthesized menthone derivatives (Menthopyrazole compounds) for mild steel in 1 M HCl solution

Experimental and theoretical study on corrosion inhibition of new synthesized menthone derivatives (Menthopyrazole compounds) for mild steel in 1 M HCl solution

Caprylamidopropyl Betaine as a highly efficient eco-friendly corrosion inhibitor for API X120 steel in 1 M H2SO4

Simulation and surface topology of activity of pyrazoloquinoline derivatives as corrosion inhibitor on the copper surfaces

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