Effect of Electron Donating Functional Groups on Corrosion Inhibition of J55 Steel in a Sweet Corrosive Environment: Experimental, Density Functional Theory, and Molecular Dynamic Simulation

Singh, Ambrish; Ansari, K.R.; Quraishi, M.A.; Lgaz, Hassane

doi:10.3390/ma12010017

Cited by 74 publications

(25 citation statements)

References 66 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The deconvoluted Fe2p 3/2 peaks ( Figure 14 b) at 710.5 and 713.0 eV could be associated with the α-Fe 2 O 3 or/and γ- Fe 2 O 3 [ 13 ]. The presence of these species is likely due to the partial decomposition of iron carbonate.…”

Section: Resultsmentioning

confidence: 99%

“…The C1s peak at 286.2 eV could be attributed to the C–OH/C=O bonds related to the different groups of GA [ 26 , 43 ]. This peak may also be assigned to the carbon atom bonded to nitrogen in C–N bond [ 13 , 44 ] and could be related to the glycoprotein and/or to the arabinogalactan-protein fractions of the inhibitor ( Figure 15 b,c, respectively). The last C1s peak with a binding energy of 287.7 eV could be associated with the presence of carbonyl type groups O–C=O/N–C=O that result from the protonation of the GA molecule in the acid environment [ 28 ].…”

Section: Resultsmentioning

confidence: 99%

“…The literature reports that over the last decades the use of corrosion inhibitors as a means to mitigate CO 2 corrosion that occurs inside the carbon steel pipelines has received a wide interest. Nitrogen-based compounds such as pyridine derivatives [ 11 ] imidazolines [ 12 ], benzimidazole derivatives [ 13 ], and amines [ 14 ] were found to be effective corrosion inhibitors against CO 2 corrosion. However, most of these compounds are reported to be toxic and their synthesis can be very expensive [ 15 , 16 ].…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Effect of CO2 Partial Pressure on the Corrosion Inhibition of N80 Carbon Steel by Gum Arabic in a CO2-Water Saline Environment for Shale Oil and Gas Industry

et al. 2020

View full text Add to dashboard Cite

The effect of CO2 partial pressure on the corrosion inhibition efficiency of gum arabic (GA) on the N80 carbon steel pipeline in a CO2-water saline environment was studied by using gravimetric and electrochemical measurements at different CO2 partial pressures (e.g., PCO2 = 1, 20 and 40 bar) and temperatures (e.g., 25 and 60 °C). The results showed that the inhibitor efficiency increased with an increase in inhibitor concentration and CO2 partial pressure. The corrosion inhibition efficiency was found to be 84.53% and 75.41% after 24 and 168 h of immersion at PCO2 = 40 bar, respectively. The surface was further evaluated by scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), grazing incidence X-ray diffraction (GIXRD), and X-ray photoelectron spectroscopy (XPS) measurements. The SEM-EDS and GIXRD measurements reveal that the surface of the metal was found to be strongly affected by the presence of the inhibitor and CO2 partial pressure. In the presence of GA, the protective layer on the metal surface becomes more compact with increasing the CO2 partial pressure. The XPS measurements provided direct evidence of the adsorption of GA molecules on the carbon steel surface and corroborated the gravimetric results.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Effect of CO2 Partial Pressure on the Corrosion Inhibition of N80 Carbon Steel by Gum Arabic in a CO2-Water Saline Environment for Shale Oil and Gas Industry

et al. 2020

View full text Add to dashboard Cite

show abstract

“…Singh studied the effect of substituent on the efficiency of corrosion inhibitors of benzimidazole derivatives for J55 steel in 3.5 wt% NaCl solution by combining experimental studies, DFT method and molecular dynamics simulation. A good correlation between electronic parameters and the efficiency of corrosion inhibitors is successfully presented [13].…”

Section: Introductionmentioning

confidence: 82%

Theoretical study of the substituent effect on corrosion inhibition performance of benzimidazole and its derivatives

Hadisaputra¹,

Purwoko²,

Wajdi³

et al. 2019

Int. J. Corros. Scale Inhib.

View full text Add to dashboard Cite

The substituent effects of electron-donating and-withdrawing on the efficiency of corrosion inhibition of benzimidazole and its derivatives have been studied by density functional theory DFT and Møller-Plesset perturbation theory MP2 calculations at aqueous medium. For this investigation, the corrosion inhibition efficiencies of the protonated and non-protonated spesies of benzimidazole and its derivatives were correlated with molecular electronic properties: high occupied molecular orbital (HOMO) and low unoccuppied molecular orbital (LUMO) energies, ionization potential, electron affinity, electronegativity and fraction number of electron transfer. The dipole moment and interaction energy represent the total surface coverage and the strength of the adsorption of inhibitors on the metal surface. Natural bond orbital NBO analysis in term of the second order interaction energies were used to study the contributions of the active sites of inhibitors toward corrosion inhibition performances. The ionization potential of the inhibitors has a strong influence on the efficiency of corrosion inhibitors. It was found that the MP2 method accurately predicted the ionization potential while the DFT failed to mimic the ionization potential of the experimental results. The linear correlation was shown between electronic properties and corrosion inhibition efficiency. Electron donating substituents increase the corrosion inhibition efficiency, whereas electron withdrawing substituents give the opposite effect. The NH 2 substituent contributes highest, whereas NO 2 provides the weakest contribution to the corrosion inhibition efficiency for both non-protonated and protonated species of inhibitors. The second order interaction energy indicated that heteroatom at imidazole position was the main center of electron donating and they received simultaneously significant amount of electron back donation from the metal.

show abstract

“…In the recent decade, the corrosion fraternity has been concerned with finding green and environment-friendly inhibitors [5]. Plant extracts, as potential corrosion inhibitors, have been used by several authors [6][7][8][9][10]. The shortcoming of using plant extracts is that they tend to develop fungi/bacteria on their surfaces after some time, and this affects their inhibition efficiency.…”

Section: Introductionmentioning

confidence: 99%

Anti-Corrosive Properties of an Effective Guar Gum Grafted 2-Acrylamido-2-Methylpropanesulfonic Acid (GG-AMPS) Coating on Copper in a 3.5% NaCl Solution

et al. 2020

Self Cite

View full text Add to dashboard Cite

Guar gum grafted 2-acrylamido-2-methylpropanesulfonic acid (GG-AMPS) was synthesized using guar gum and AMPS as the base ingredients. The corrosion inhibition of copper was studied using weight loss, electrochemical, and surface characterization methods in a 3.5% sodium chloride (NaCl) solution. Studies including weight loss were done at different acid concentrations, different inhibitor concentrations, different temperatures, and different immersion times. The weight loss studies showed the good performance of GG-AMPS at a 600 mg/L concentration. This concentration was further used as the optimum concentration for all of the studies. The efficiency decreased with the rise in temperature and at higher concentrations of acidic media. However, the efficiency of the inhibition increased with the additional immersion time. Electrochemical methods including impedance and polarization were employed to calculate the inhibition efficiency. Both of the techniques exhibited a good inhibition by GG-APMS at a 600 mg/L concentration. Surface studies were conducted using scanning electrochemical microscopy (SECM), scanning electron microscopy (SEM), and atomic force microscopy (AFM) methods. The surface studies showed smooth surfaces in the presence of GG-AMPS and rough surfaces in its absence. The adsorption type of GG-AMPS on the surface of the copper followed the Langmuir adsorption model.

show abstract

Effect of Electron Donating Functional Groups on Corrosion Inhibition of J55 Steel in a Sweet Corrosive Environment: Experimental, Density Functional Theory, and Molecular Dynamic Simulation

Cited by 74 publications

References 66 publications

Effect of CO2 Partial Pressure on the Corrosion Inhibition of N80 Carbon Steel by Gum Arabic in a CO2-Water Saline Environment for Shale Oil and Gas Industry

Effect of CO2 Partial Pressure on the Corrosion Inhibition of N80 Carbon Steel by Gum Arabic in a CO2-Water Saline Environment for Shale Oil and Gas Industry

Theoretical study of the substituent effect on corrosion inhibition performance of benzimidazole and its derivatives

Anti-Corrosive Properties of an Effective Guar Gum Grafted 2-Acrylamido-2-Methylpropanesulfonic Acid (GG-AMPS) Coating on Copper in a 3.5% NaCl Solution

Contact Info

Product

Resources

About