Highly functionalized epoxy macromolecule as an anti-corrosive material for carbon steel: Computational (DFT, MDS), surface (SEM-EDS) and electrochemical (OCP, PDP, EIS) studies

Dagdag, Omar; Safi, Zaki; Wazzan, Nuha; Erramli, Hamid; Guo, Lei; Mkadmh, Ahmed M.; Verma, Chandrabhan; Ebenso, Eno E.; Gana, L. El; Harfi, A. El

doi:10.1016/j.molliq.2020.112535

Cited by 76 publications

(13 citation statements)

References 51 publications

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“…The value of ΔS * in the presence of Curam inhibitor is higher than in their absence. This is attributed to an increase in solvent entropy, which drives the adsorption of inhibitor molecules on the metal surface 29 …”

Section: Resultsmentioning

confidence: 99%

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Evaluation of Curam drug as an ecofriendly corrosion inhibitor for protection of stainless steel‐304 in hydrochloric acid solution: Chemical, electrochemical, and surface morphology studies

El‐Haddad

Fouda

2020

J Chinese Chemical Soc

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In the present work, the Curam drug was used as an eco-friendly corrosion inhibitor for the protection of stainless steel 304 (SS-304) in 2.0 M HCl solution. The inhibition efficiency was determined by mass loss (ML), Potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) measurements. The surface morphology analysis carried out using Fourier transform infrared spectroscopy (FT-IR) and atomic force microscopy (AFM). ML data prove that with an increase in the temperature, Curam still exhibits good anti-corrosion performance. The inhibition efficiency of Curam can still be maintained at about 72% at 318 K. The data of electrochemical measurements indicate that Curam is the mixed-type inhibitor. The adsorption process of Curam on the SS-304 surface obeys the Langmuir adsorption isotherm. FT-IR and AFM analysis showed the excellent inhibition performance of Curam for SS-304 dissolution in an acidic medium. The data obtained by chemical and electrochemical measurements are in good agreement with one another.

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Section: Resultsmentioning

confidence: 99%

“…This is attributed to an increase in solvent entropy, which drives the adsorption of inhibitor molecules on the metal surface. 29…”

Section: Temperature Effect and Kinetic Parametersmentioning

confidence: 99%

Evaluation of Curam drug as an ecofriendly corrosion inhibitor for protection of stainless steel‐304 in hydrochloric acid solution: Chemical, electrochemical, and surface morphology studies

El‐Haddad

Fouda

2020

J Chinese Chemical Soc

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“…More precisely and to get a clearer identification for the electrophilic and the nucleophilic attack at specific atomic sites [ 33 , 34 ], the dual descriptors (DDs) (Fukui descriptor or the second order Fukui functions ( , dual softness ( and the dual philicity ) were also calculated. These DDs simplify chemical reactivity in a local sense and allow us to obtain the prefered locations for nucleophilic attacks and the preferred sites for electrophilic attacks ( < 0) [ 35 ].…”

Section: Methodsmentioning

confidence: 99%

Experimental and theoretical study for removal of trimethoprim from wastewater using organically modified silica with pyrazole-3-carbaldehyde bridged to copper ions

et al. 2022

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Background Human and veterinary antibiotics are typically discharged as parent chemicals in urine or feces and are known to be released into the environment via wastewater treatment plants (WWTPs). Several research investigations have recently been conducted on the removal and bioremediation of pharmaceutical and personal care products (PPCPs) disposed of in wastewater. Results SiNP-Cu, a chelating matrix, was produced by delaying and slowing 1.5-dimethyl-1H-pyrazole-3-carbaldehyde on silica gel from functionalized with 3-aminopropyltrimethoxysilane. The prepared sorbent material was characterized using several techniques including BET surface area, FT-IR spectroscopy, Scanning electron microscopy (SEM), thermogravimetric analysis (TGA), and nitrogen adsorption–desorption isotherm. The pseudo-second-order model provided the best correlation due to the big match between the experimental and theoretical of different adsorption coefficients. The Langmuir and Freundlich adsorption models were used and the study showed a better match with the Freundlich model with a capacity of removal reached up to 420 mg g−1. The removal capacity was dependent on pH and increased by increasing pH. The removal percentage reached 91;5% at pH = 8. The adsorbent demonstrated a high percentage removal of TMP, reaching more than 94% when increased pH. The sample was simply regenerated by soaking it for a few minutes in 1 N HCl and drying it. The sorbent was repeated five times with no discernible decrease in removal capacity. The thermodynamic study also showed endothermic, increasing randomness and not spontaneous. The free energy was 2.71 kJ/mol at 320 K. The findings of the DFT B3LYP/6–31 + g (d, p) local reactivity descriptors revealed that nitrogen atoms and π-electrons of the benzene and pyrimidine rings in the TMP are responsible for the adsorption process with the SiNP surface. The negative values of the adsorption energies obtained by molecular dynamic simulation indicated the spontaneity of the adsorption process. Conclusion The global reactivity indices prove that TMP is stable and it can be removed from wastewater using SiNP surface. The results of the local reactivity indices concluded that the active centers for the adsorption process are the nitrogen atoms and the π-electrons of the pyrimidine and benzene rings. Furthermore, the positive value of the maximum charge transfer number (ΔN) proves that TMP has a great tendency to donate electrons to SiNP surface during the process of adsorption.

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“…According to [ 35 , 36 ], the addition of V decreases the rate of oxygen reduction on work electrode surface. Additionally, a decrease in OCP values for the Fe 67 Co 10 B 12 Si 9 Nb 2 and Fe 57 Co 10 B 20 Si 5 Nb 4 V 4 alloys can suggest that the cathodic reaction was limited during the corrosion process [ 37 ]. The discrepancy between the samples is most likely due to the diverse chemical nature.…”

Section: Resultsmentioning

confidence: 99%

Influence of the Nb and V Addition on the Microstructure and Corrosion Resistance of the Fe-B-Co-Si Alloy

et al. 2021

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The paper presents a comparison of the results of the corrosion resistance for three Fe-B-Co-Si-based newly developed alloys with the addition of Nb and V. The corrosion performance differences and microstructure variations were systematically studied using scanning electron microscope, electric corrosion equipment, X-ray diffractometer, and differential calorimeter. It has been shown that each alloying addition increased the corrosion resistance. The highest corrosion resistance obtained by potentiodynamic polarization was found for the alloy with both Nb and V addons (Fe57Co10B20Si5Nb4V4) and lowest in the case of the basic four-element Fe62Co15B14Si9 material. This shows that the proper choice of additions is of significant influence on the final performance of the alloy and allows tailoring of the material for specific applications.

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Highly functionalized epoxy macromolecule as an anti-corrosive material for carbon steel: Computational (DFT, MDS), surface (SEM-EDS) and electrochemical (OCP, PDP, EIS) studies

Cited by 76 publications

References 51 publications

Evaluation of Curam drug as an ecofriendly corrosion inhibitor for protection of stainless steel‐304 in hydrochloric acid solution: Chemical, electrochemical, and surface morphology studies

Evaluation of Curam drug as an ecofriendly corrosion inhibitor for protection of stainless steel‐304 in hydrochloric acid solution: Chemical, electrochemical, and surface morphology studies

Experimental and theoretical study for removal of trimethoprim from wastewater using organically modified silica with pyrazole-3-carbaldehyde bridged to copper ions

Influence of the Nb and V Addition on the Microstructure and Corrosion Resistance of the Fe-B-Co-Si Alloy

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