New and Green Corrosion Inhibitor Based on New Imidazole Derivate for Carbon Steel in 1 M Hcl Medium: Experimental and Theoretical Analyses

2022 ◽  
Vol 58 ◽  
pp. 11-44 ◽  
Author(s):  
Elyor Berdimurodov ◽  
Abduvali Kholikov ◽  
Khamdam Akbarov ◽  
Lei Guo ◽  
Savaş Kaya ◽  
...  
Keyword(s):  
Carbon Steel ◽  
Corrosion Inhibitor ◽  
Metal Surface ◽  
Density Functional ◽  
Inhibition Efficiency ◽  
Research Work ◽  
Experimental Tests ◽  
Functional Theory ◽  
Green Corrosion Inhibitor ◽  
Hcl Medium

In this research work, a new and green corrosion inhibitor based on new imidazole derivate (IMD) was introduced for carbon steel in 1 M HCl medium. Its inhibition properties were fully characterised by the gravimetric, electrochemical, surface and quantum chemical analyses. The experimental results confirmed that the inhibition efficiency of IMD was over 99% at 150 mg/L, forming a protective hydrophobic film on the metal surface, which maximally blocked the cathodic and anodic corrosive processes by adsorption. The electrochemical results suggested that the IMD is a mixed-type inhibitor. The adsorption behaviour of IMD was obeyed by Langmuir isotherms. The gravimetric results show that the inhibition efficiency depends on the change of concentration and temperature. The experimental tests were supported by the DFT (density functional theory) measurements, and a good relationship was found among these tests. The observed results of the surface analysis indicated that the metal surface was seriously improved with the presence of IMD.

scholarly journals Experimental and Theoretical Studies on the Corrosion Inhibition of Carbon Steel by Two Indazole Derivatives in HCl Medium

Materials ◽  
2019 ◽  
Vol 12 (8) ◽  
pp. 1339 ◽  
Author(s):  
Xu ◽  
Zhang ◽  
Guo ◽  
Feng ◽  
Tan
Keyword(s):  
Carbon Steel ◽  
Density Functional ◽  
Protective Layer ◽  
Orbital Theory ◽  
Dft Methods ◽  
Functional Theory ◽  
Experimental And Theoretical Studies ◽  
Hcl Medium ◽  
Inhibition Ability ◽  
Negative Adsorption

In this work, two indazole derivatives, namely 5-aminoindazole (AIA) and 5-nitroindazole (NIA), were investigated as corrosion inhibitors for carbon steel in 1 M HCl solution by experimental and density functional theory (DFT) methods. The electrochemical results indicate that the inhibition ability follows the order of AIA > NIA, which is due to the stronger electron-donating effect of –NH2 of the AIA group than the –NO2 group of NIA. Besides, the frontier orbital theory shows that the AIA exhibits higher reaction activity than NIA, and a more negative adsorption energy for AIA was also obtained, which is consistent with the analysis of the electrochemical measurements. We draw the conclusion that the electron-donating effect makes it easier for AIA to donate electrons to iron atoms to form a stronger protective layer than NIA.

scholarly journals LINSEED OIL AS A NOVEL ECO-FRIENDLY CORROSION INHIBITOR OF CARBON STEEL IN 1 M HCl

2019 ◽  
Vol 26 (02) ◽  
pp. 1850148
Author(s):  
N. GHARDA ◽  
M. GALAI ◽  
L. SAQALLI ◽  
N. HABBADI ◽  
R. GHAILANE ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Carbon Steel ◽  
Corrosion Inhibitor ◽  
Inhibition Efficiency ◽  
Linseed Oil ◽  
Steel Corrosion ◽  
Effective Inhibitor ◽  
Chromatography Method ◽  
Green Corrosion Inhibitor ◽  
Hcl Solution

The extraction of linseed oil (LO) was realized by refluxing method. The extracted oil was identified by gas chromatography method coupled with mass spectrometry (GC-MS). In order to contribute to the protection of the environment, one contemplates to try on LO as a green corrosion inhibitor. The corrosion inhibition of LO was studied by weight loss and electrochemical methods. The obtained results showed that the LO is an effective inhibitor of the carbon steel corrosion in 1[Formula: see text]M HCl solution, the inhibition efficiency increased with concentration to reach 88% at 200[Formula: see text]ppm. Furthermore, the adsorption of the inhibitor on the surface of metal in 1[Formula: see text]M HCl solution was found to obey Langmuir’s adsorption isotherm. The influences of temperature were also studied in the range from 298[Formula: see text]K to 328[Formula: see text]K. The kinetic and thermodynamic data of activation dissolution process were determined and discussed.

scholarly journals Theoretical study of a new oxazolidine -5- one derivative as a corrosion inhibitor for carbon steel surface

2021 ◽  
pp. 1396-1403
Author(s):  
Rehab Majed Kubba ◽  
Nada Mohammed Al-Joborry
Keyword(s):  
Carbon Steel ◽  
Corrosion Inhibitor ◽  
Density Functional ◽  
Steel Surface ◽  
Equilibrium Geometry ◽  
Chemical Parameters ◽  
Functional Theory ◽  
Carbon Steel Surface ◽  
Quantum Mechanical Method ◽  
Inhibition Performance

A newly derivative of oxazolidin-5- one namely [2-(2-biphenyl-4-yl-imidazo [1,2-a] pyridine-3-yl)-3-(4-nitro-phenyl)-oxazolidin-5-one (BIPNO5)] was examined as an corrosion inhibitor for carbon steel surface. Quantum mechanical method of Density Functional Theory (DFT) with (B3LYP (6-311++G (2d, 2p)) level of theory was used to calculate the minimize structure, physical properties and inhibition chemical parameters, in vacuum and two solvents (DMSO and H2O), all at equilibrium geometry. The results indicated that the new derivative could adsorb on the surface of carbon steel through the heteroatom, showing that the new inhibitor has good corrosion inhibition performance.

scholarly journals THEORETICAL STUDY ON CORROSION INHIBITION PROPERTIES OF 2-ISOPROPYL-5-METHYLPHENOL

2016 ◽  
Vol 11 (2) ◽  
pp. 102
Author(s):  
Saprizal Hadisaputra ◽  
Saprini Hamdiani ◽  
Eka Junaidi
Keyword(s):  
Corrosion Inhibitor ◽  
Corrosion Inhibition ◽  
Density Functional ◽  
Inhibition Efficiency ◽  
Theoretical Study ◽  
Chemical Parameters ◽  
Functional Theory ◽  
Quantum Chemical Parameters ◽  
Corrosion Inhibition Efficiency ◽  
Electron Donating Groups

Corrosion inhibitors of 2-isopropyl-5-methylphenol and its derivatives has been elucidated by means of density functional theory at B3LYP/6-31G(d) level of theory. Effect of electron donating and withdrawing groups such as NH<sub>2, </sub>SH, CHCH<sub>2</sub>, CH<sub>3</sub>, OH, CHO, COOH, F and NO<sub>2</sub> on the corrosion inhibitor of 2-isopropyl-5-methylphenol derivatives also have been studied. The quantum chemical parameters such as the frontier orbital energies (E<sub>HOMO</sub>), ionization potential (<em>I</em>), electron affinity (<em>A</em>) and electronegativity (χ) are closely related to the corrosion inhibition efficiency (IE %) of 2-isopropyl-5-methylphenol derivatives. The presence of electron donating groups increase IE % values meanwhile electron with drawing groups reduce IE % values. The enhancement of IE % follows NO<sub>2 </sub>&lt; CHO &lt; COOH &lt; SH &lt; F &lt; CH<sub>3 </sub>&lt; CHCH<sub>2 </sub>&lt; OH &lt; NH<sub>2</sub>. Electron donating NH<sub>2</sub> group gives 96.38 % of IE %, pure 2-isopropyl-5-methylphenol IE % = 82.70 %. In contrast, electron withdrawing NO<sub>2</sub> group gives IE % only 68.66 %. This theoretical study would have a significantly contribution for accelerating corrosion inhibitor experimental to gain optimum results.

scholarly journals Use of a Metallic Complex Derived from Curcuma Longa as Green Corrosion Inhibitor for Carbon Steel in Sulfuric Acid

2021 ◽  
Vol 2021 ◽  
pp. 1-13
Author(s):  
E. A. Florez-Frias ◽  
V. Barba ◽  
R. Lopez-Sesenes ◽  
L. L. Landeros-Martínez ◽  
J. P. Flores-De los Ríos ◽  
...  
Keyword(s):  
Sulfuric Acid ◽  
Carbon Steel ◽  
Corrosion Inhibitor ◽  
Density Functional ◽  
Curcuma Longa ◽  
Electrochemical Techniques ◽  
Chemical Research ◽  
Inhibitor Efficiency ◽  
Green Corrosion Inhibitor ◽  
Metallic Complex

A tin-containing metallic complex derived from Curcuma longa, bis[1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dionato-κO,κO ′ ]bis(butyl), has been obtained and used as a green corrosion inhibitor for carbon steel in 0.5 M sulfuric acid by using weight loss, electrochemical techniques, and the Density Functional Theory. It was found that the obtained metallic complex greatly decreases the steel corrosion rate by adsorption according to a Frumkin model in a weak, physical type of adsorption. Inhibitor efficiency increased with its concentration, and it acted as a mixed type of inhibitor. Results were supported by quantum-chemical research in order to examine the relationship between structural and electronic properties and the inhibitor efficiency.

scholarly journals Experimental and Theoretical Studies of α-Linolenic Acid as Green Corrosion Inhibitor for Carbon Steel in 0.5 M Sulfuric Acid

Molecules ◽  
2021 ◽  
Vol 26 (20) ◽  
pp. 6169
Author(s):  
I.A. Hermoso-Diaz ◽  
R. Lopez-Cecenes ◽  
J.P. Flores-De los Rios ◽  
L.L. Landeros-Martínez ◽  
E. Sarmiento-Bustos ◽  
...  
Keyword(s):  
Sulfuric Acid ◽  
Carbon Steel ◽  
Corrosion Inhibitor ◽  
Linolenic Acid ◽  
Density Functional ◽  
Polarization Curves ◽  
Chemical Hardness ◽  
High Tendency ◽  
Green Corrosion Inhibitor ◽  
Eis Measurements

A component of Salvia hispanica, α-linolenic acid, has been evaluated as a green corrosion inhibitor for 1018 carbon steel in 0.5 M sulfuric acid using weight loss tests, potentiodynamic polarization curves and electrochemical impedance spectroscopy (EIS) measurements. Theoretical calculations using Density Functional Theory (DFT) were used also. The results have shown that this compound is a good corrosion inhibitor, with an efficiency which increased with an increase in its concentration up to 600 ppm, but it decreased with a further increase in the concentration. α-linolenic acid formed protective corrosion products layer because it was chemically adsorbed onto the steel surface according to a Langmuir type of adsorption isotherms. Polarization curves have shown that α-linolenic acid is a good, mixed type of inhibitor with a predominant effect on the cathodic hydrogen evolution reactions. EIS measurements indicated a charge transfer-controlled corrosion process. DFT calculations indicated that α-linolenic acid was more efficient in an acidic environment than in a neutral one because has a high tendency to donate electrons and can be easily protonated. In addition to this, it had the highest EHUMO value, the best chemical reactivity, the greatest tendency to transfer electrons and a greater facility of modifying its electronic configuration in the presence of carbon steel specimens according to its chemical hardness value.

scholarly journals THEORETICAL STUDY ON CORROSION INHIBITION PROPERTIES OF 2-ISOPROPYL-5-METHYLPHENOL

2016 ◽  
Vol 11 (2) ◽  
pp. 102 ◽  
Author(s):  
Saprizal Hadisaputra ◽  
Saprini Hamdiani ◽  
Eka Junaidi
Keyword(s):  
Corrosion Inhibitor ◽  
Corrosion Inhibition ◽  
Density Functional ◽  
Inhibition Efficiency ◽  
Theoretical Study ◽  
Chemical Parameters ◽  
Functional Theory ◽  
Quantum Chemical Parameters ◽  
Corrosion Inhibition Efficiency ◽  
Electron Donating Groups

Corrosion inhibitors of 2-isopropyl-5-methylphenol and its derivatives has been elucidated by means of density functional theory at B3LYP/6-31G(d) level of theory. Effect of electron donating and withdrawing groups such as NH<sub>2, </sub>SH, CHCH<sub>2</sub>, CH<sub>3</sub>, OH, CHO, COOH, F and NO<sub>2</sub> on the corrosion inhibitor of 2-isopropyl-5-methylphenol derivatives also have been studied. The quantum chemical parameters such as the frontier orbital energies (E<sub>HOMO</sub>), ionization potential (<em>I</em>), electron affinity (<em>A</em>) and electronegativity (χ) are closely related to the corrosion inhibition efficiency (IE %) of 2-isopropyl-5-methylphenol derivatives. The presence of electron donating groups increase IE % values meanwhile electron with drawing groups reduce IE % values. The enhancement of IE % follows NO<sub>2 </sub>&lt; CHO &lt; COOH &lt; SH &lt; F &lt; CH<sub>3 </sub>&lt; CHCH<sub>2 </sub>&lt; OH &lt; NH<sub>2</sub>. Electron donating NH<sub>2</sub> group gives 96.38 % of IE %, pure 2-isopropyl-5-methylphenol IE % = 82.70 %. In contrast, electron withdrawing NO<sub>2</sub> group gives IE % only 68.66 %. This theoretical study would have a significantly contribution for accelerating corrosion inhibitor experimental to gain optimum results.

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