scholarly journals Chemical Combination of 4-(4-Hydroxybut-2-ynyl) Pyridine and 3-Methylbenzenamine to Construct an Effective Inhibitor: Theoretical and Practical Investigation

2018 ◽  
Vol 3 (2) ◽  
Keyword(s):  
Theoretical Calculation ◽  
Corrosion Inhibition ◽  
Inhibition Efficiency ◽  
Acid Corrosion ◽  
Steel Corrosion ◽  
Md Simulations ◽  
Chemical Calculation ◽  
Pyridinium Bromide ◽  
Chemical Combination ◽  
Practical Investigation

A new inhibitor, N-m-benzylamine-4-(4-hydroxybut-2-ynyl) pyridinium bromide (designated as BAP) was designed and synthesized. Quantum chemical calculation and molecular dynamics (MD) simulations manifested that BAP, a compound by covalent combination of 4-(4-hydroxybut-2-ynyl) pyridine (HYP) and 3-methyl benzenamine (MBA), functioned better than did the two moieties (HYP and MBA) for X70 steel corrosion inhibition. The corrosion inhibition investigation revealed that the experiment outcome was in good consistency with the theoretical calculation. The inhibition efficiency of BAP was 95.72% for X70 steel in 5 M HCl at 90 0C. BAP adsorbed on X70 steel surface, obeyed Langmuir isotherm, retarded both the metal dissolution and the hydrogen evolution, and enhanced greatly the acid corrosion resistance of X70 steel. Comparative test demonstrated that the inhibition efficiency of BAP was about 10 times of that for MAB and 8 times of that for HYP albeit the concentration of BAP was tenth of that of HYP and MBA. The experimental investigation backs up the theoretical calculation and manifests intramolecular synergism of the structure moieties being beneficial to design of high effective inhibitors.

scholarly journals Acid Corrosion Inhibition and Adsorption Behaviour of Ethyl Hydroxyethyl Cellulose on Mild Steel Corrosion

2014 ◽  
Vol 2014 ◽  
pp. 1-11 ◽  
Author(s):  
I. O. Arukalam ◽  
I. O. Madu ◽  
N. T. Ijomah ◽  
C. M. Ewulonu ◽  
G. N. Onyeagoro
Keyword(s):  
Mild Steel ◽  
Molecular Orbital ◽  
Corrosion Inhibition ◽  
Density Functional ◽  
Inhibition Efficiency ◽  
Acid Corrosion ◽  
Hydroxyethyl Cellulose ◽  
Chemical Calculation ◽  
Free Energy Of Adsorption ◽  
Ethyl Hydroxyethyl Cellulose

The corrosion inhibition of mild steel in 1.0 M H2SO4 solution by ethyl hydroxyethyl cellulose has been studied in relation to the concentration of the additive using weight loss measurement, EIS, polarization, and quantum chemical calculation techniques. The results indicate that EHEC inhibited corrosion reaction in the acid medium and inhibition efficiency increased with EHEC concentration. Further increase in inhibition efficiency is observed in the presence of iodide ions, due to synergistic effect. Impedance results reveal that EHEC is adsorbed on the corroding metal surface. Adsorption followed a modified Langmuir isotherm, with very high negative values of the free energy of adsorption (ΔGads). The polarization data indicate that the inhibitor was of mixed type, with predominant effect on the cathodic partial reaction. The frontier molecular orbitals, HOMO (the highest occupied molecular orbital) and LUMO (the lowest unoccupied molecular orbital) as well as local reactivity of the EHEC molecule, were analyzed theoretically using the density functional theory to explain the adsorption characteristics at a molecular level. The theoretical predictions showed good agreement with experimental results.

scholarly journals New Aromatic Azo-Schiff as Carbon Steel Corrosion Inhibitor in 1 M H2SO4

2018 ◽  
Vol 34 (5) ◽  
pp. 2471-2476 ◽  
Author(s):  
Hamida Edan Salman ◽  
Asim A. Balakit ◽  
Ali Ahmed Abdulridha
Keyword(s):  
Weight Loss ◽  
Carbon Steel ◽  
Corrosion Inhibitor ◽  
Corrosion Inhibition ◽  
Potentiodynamic Polarization ◽  
Inhibition Efficiency ◽  
Steel Corrosion ◽  
Spectroscopic Techniques ◽  
Different Temperatures ◽  
Corrosion Inhibition Efficiency

A new aromatic Schiff base with azo linkage (AS) has been synthesized and characterized by FT-IR, 1H NMR and 13C NMR spectroscopic techniques. The new compound (AS) has been evaluated as carbon steel corrosion inhibitor at different concentrations (0.005, 0.01, 0.02, 0.04 and 0.08 mM) and different temperatures (303 – 333 K). The corrosion inhibition efficiency was studied by potentiodynamic polarization and weight loss measurements. The effects of concentration and temperature on the inhibition efficiency were studied by potentiodynamic polarization studies, the results showed that increasing concentration of AS increases the inhibition efficiency while increasing the temperature decreases it, the highest corrosion inhibition efficiency, 93.9% was recorded with 0.08 mM of AS at 313 K in 1 M H2SO4. Weight loss measurements showed that the inhibition efficiency reached 97.1% in the presence of AS (0.08 mM) at 313 K. The adsorption process was found to obey Langmuir isotherm, and the adsorption thermodynamic parameters were studied. Scanning electron microscope (SEM) was used to confirm the results.

Musa Sapientum (Banana) Peels as Green Corrosion Inhibitor for Mild Steel

2019 ◽  
Vol 797 ◽  
pp. 230-239 ◽  
Author(s):  
Nor Roslina Rosli ◽  
Suriatie Mat Yusuf ◽  
Arina Sauki ◽  
Wan Muhamad Razlan Wan Razali
Keyword(s):  
Weight Loss ◽  
Mild Steel ◽  
Corrosion Inhibition ◽  
Steel Surface ◽  
Inhibition Efficiency ◽  
Steel Corrosion ◽  
Gas Chromatography Mass Spectrometry ◽  
Banana Peel ◽  
Musa Sapientum ◽  
Peel Extract

The inhibition efficiency of Musa sapientum (banana) peel extracts at different concentrations and temperatures on mild steel corrosion in acidic solution of 1 M hydrochloric acid (HCl) were investigated by using weight loss method. The banana peel extract concentrations were tested from 300 to 500 ppm at temperature range between 25°C to 60°C. The performance of banana peel extract as an inhibitor was found compatible in the tested solution. The corrosion rates, which were calculated from the weight loss data, showed that the inhibition efficiency of the extract increased from 86.9% to 89.0% as the concentration of banana peel extract increased from 300 ppm to 500 ppm. It was also observed that the inhibition efficiency decreased as the temperature was increased from 25°C to 60°C. Characterization of the peel extract by using gas chromatography-mass spectrometry (GC-MS) has detected the presence of bioactive compounds which are responsible for the corrosion inhibition and adsorption properties on mild steel surface. Eleven major compounds have been identified as having corrosion inhibition properties. FTIR analysis confirmed the presence of functional groups of alcohols, alkanes, carbonyls, aromatics, ethers, and esters that can prevent corrosion by adsorption on steel surface.

scholarly journals Assessment on the Effective Green-Based Nepal Origin Plants Extract as Corrosion Inhibitor for Mild Steel in Bioethanol and its Blend

2020 ◽  
Vol 1 (5) ◽  
Author(s):  
Prakash Katuwal ◽  
Ramesh Regmi ◽  
Susan Joshi ◽  
Jagadeesh Bhattarai
Keyword(s):  
Mild Steel ◽  
Corrosion Inhibition ◽  
Adsorption Isotherms ◽  
Inhibition Efficiency ◽  
Steel Corrosion ◽  
Inhibition Mechanism ◽  
Mild Steel Corrosion ◽  
Effective Inhibition ◽  
Commercial Gasoline ◽  
Polarization Studies

Effects of Nepal origin plant species of Vitex negundo, Catharanthus roseu, Aegle marmelos and Elaeocarpus ganitrus extracts on mild steel corrosion were explored in bioethanol (E100) and its blend (E15) in airtight condition at 25±2 °C using static immersion, inhibition efficiency and mechanism tests which were complemented with adsorption isotherms and potentiodynamic polarization studies. Corrosion resistance of the mild steel was increased with increasing 500-2000 ppm concentrations of each plant extract in E100 and E15 biofuels. Additions of V. negundo and C. roseus extract separately in both the biofuels seems to be more effective inhibition actions to prevent the mild steel corrosion than A. marmelos or E. ganitrus addition so as the corrosion rates of the mild steel in E100 and E15 are successfully lowered even than in commercial gasoline (E0). The results obtained from the corrosion rate revealed the order of the corrosion inhibition efficiency (IE) as V. negundo > C. roseus > A. marmelos > E. ganitrus. The maximum IE (IEmax) in V. negundo and C. roseus leaves was showed about 89-86% and 71-75%, respectively, at 2000 ppm concentration, in spite of the other two more plants leaf extract also used as the corrosion inhibitors for the mild steel in both E100 and E15 biofuels. The IE increased on increasing inhibitor concentration following the Langmuir and Temkin adsorption isotherms but decreased with immersion time which suggested that the corrosion inhibition mechanism is of physical type of adsorption of the leaves constituents on the mild steel surface. A. marmelos extract acted as an anodic type of inhibitor in E100 and E15, while E. ganitrus acted as mixed

scholarly journals Mild steel corrosion inhibition by synthesized 7-(Ethylthiobenzimidazolyl) Theophylline

2021 ◽  
Author(s):  
N’guessan Yao Silvère Diki ◽  
Nagnonta Hippolyte Coulibaly ◽  
Kadjo François Kassi ◽  
Albert Trokourey
Keyword(s):  
Weight Loss ◽  
Mild Steel ◽  
Corrosion Inhibition ◽  
Inhibition Efficiency ◽  
Physical Adsorption ◽  
Reaction System ◽  
Steel Corrosion ◽  
Tafel Polarization ◽  
Mild Steel Corrosion ◽  
System Temperature

The corrosion inhibition of mild steel by 7-(ethylthiobenzimidazolyl) theophylline (7-ETBT) in 1 M HCl medium was investigated through weight loss and Tafel polarization techniques within a temperature range of 298 to 318 K. The inhibition efficiency depends on the concen­tration of 7-ETBT and reaction system temperature. The maximum inhibition efficiency values of 90.73 and 87.06 %, respectively, were estimated using both weight loss and Tafel polarization techniques at 298 K. The results suggest spontaneous and predominant physical adsorption of 7-ETBT on the metal surface which obeys Langmuir isotherm model. Furthermore, Tafel polarization method revealed that 7-ETBT is a mixed-type inhibitor. Po­tentiodynamic polarization results are in accordance with weight loss data to a good extent.

scholarly journals Quantum chemical elucidation on corrosion inhibition efficiency of Schiff base: DFT investigations supported by weight loss and SEM techniques

2020 ◽  
Vol 15 (2) ◽  
pp. 202-209 ◽  
Author(s):  
Ahmed Al-Amiery ◽  
Taghried A Salman ◽  
Khalida F Alazawi ◽  
Lina M Shaker ◽  
Abdul Amir H Kadhum ◽  
...  
Keyword(s):  
Weight Loss ◽  
Schiff Base ◽  
Hydrochloric Acid ◽  
Corrosion Inhibition ◽  
Quantum Chemical ◽  
Density Functional ◽  
Inhibition Efficiency ◽  
Chemical Calculation ◽  
Acid Environment ◽  
Inhibition Performance

Abstract The corrosion inhibition of Schiff base, namely 2-((2-hydroxy-5-methoxybenzylidene)amino)pyridine (HMAP), for mild steel (MS) in a 1 M hydrochloric acid environment was investigated by means of weight loss and scanning electron microscopy techniques. Quantum chemical calculation based on density functional theory (DFT) was carried out on HMAP. Results illustrated that HMAP is a superior inhibitor for the corrosion of MS in 1.0M hydrochloric acid environment, and inhibition efficiency is higher than 90.0% at 0.5 g/L HMAP. Inhibition performance increases with regard to concentration increase and inhibition performance decreases when raising temperature. Adsorption of the inhibitor on the MS surface followed Langmuir adsorption isotherm and the value of the free energy of adsorption; ΔGads indicated that the adsorption of HMAP was a physisorption/chemisorption process. The DFT refers to perfect correlation with methodological inhibition performance.

scholarly journals Experimental and surface morphological studies of corrosion inhibition on carbon steel in HCl solution using some new hydrazide derivatives

RSC Advances ◽  
2021 ◽  
Vol 11 (22) ◽  
pp. 13497-13512
Author(s):  
Abd El-Aziz S. Fouda ◽  
Samir A. Abd El-Maksoud ◽  
Elsherbiny H. El-Sayed ◽  
Hazem A. Elbaz ◽  
Ashraf S. Abousalem
Keyword(s):  
Carbon Steel ◽  
Hydrochloric Acid ◽  
Corrosion Inhibition ◽  
Inhibition Efficiency ◽  
Steel Corrosion ◽  
Inhibitory Effect ◽  
Inhibition Mechanism ◽  
Morphological Studies ◽  
Hcl Solution

The inhibitory effect of three newly synthesized hydrazide derivatives on carbon steel corrosion in hydrochloric acid showed better inhibition efficiency (97.5%) and their inhibition mechanism is presented.

scholarly journals A Computational Study of Quinoline Derivatives as Corrosion Inhibitors for Mild Steel in Acidic Medium

2019 ◽  
Vol 23 (10) ◽  
pp. 1819-1824
Author(s):  
E.A. Erazua ◽  
B.B. Adeleke
Keyword(s):  
Mild Steel ◽  
Molecular Orbital ◽  
Corrosion Inhibition ◽  
Density Functional ◽  
Inhibition Efficiency ◽  
Computational Study ◽  
Chemical Hardness ◽  
Chemical Calculation ◽  
Quinoline Derivatives ◽  
Donation Process

The corrosion inhibition efficiency of three quinoline derivatives namely; ethyl 2-(((8-hydroxyquinolin5-yl)methyl)amino)acetate (QN1), 5-((benzylamino)methyl)quinolin-8-ol (QN2) and 5-(azidomethyl)quinolin-8-ol (QN3) on the mild steel in 1 M HCl was studied using density functional theory (DFT) calculations and quantitative structural activity relationship (QSAR) approach. The experimental inhibition efficiency were discussed in relation with molecular descriptors such as such as EHOMO (energy of the highest occupied molecular orbital), ELUMO (energy of the lowest unoccupied molecular orbital), band gap (BG), dipole moment (DM), chemical hardness (η), softness (σ), electronegativity (χ), electrophilicity (ω), global nucleophilicity (ɛ), electrons transferred from inhibitors to metal surface (ΔN), initial molecule–metal interaction energy (∆ψ), the energy change during electronic back-donation process (ΔEb-d), Molecular weight (MW), and Volume (V). The result showed that EHOMO, σ , ω, ΔN, ∆Eb-d and ∆ψ increases as the percentage inhibition efficiency (%IE) increases. ELUMO, BG, η , DM, and e decreases with increasing% IE, while χ , MW and V did not show any correlation with %IE. The QSAR model developed reproduced the observed corrosion inhibition efficiencies of these compounds well with a cross validation (CV. R2 ) value of 0.9994 and adjusted squared correlation coefficient (R2 adj) value of 0.9988. The results obtained in the study are in good agreement with experimental inhibition efficiency results reported earlier in literature.Keywords: Corrosion Inhibition, Quantum Chemical Calculation, Quinoline Derivatives, QSAR

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