Papaver somniferum as an efficient corrosion inhibitor for iron alloy in acidic condition: DFT, MC simulation, LCMS and electrochemical studies

Haldhar, Rajesh; Kim, Seong Cheol; Prasad, Dwarika; Bedair, Mahmoud A.; Bahadur, Indra; Kaya, Savaş; Dagdag, Omar; Guo, Lei

doi:10.1016/j.molstruc.2021.130822

Cited by 58 publications

(18 citation statements)

References 37 publications

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“…To create a chemisorbed layer, the neutral molecules that are present in the primary elements of each extract must first displace the molecules of water that are adsorbed to the surface of the metal. Inhibition of corrosion of mild steel by either extract in a solution containing 3.5% www.nature.com/scientificreports/ sodium chloride may be rationalized based on molecular adsorption [93][94][95] . These chemicals prevent corrosion by regulating the processes that occur during both the anodic and cathodic phases.…”

Section: Mechanism Of Corrosion Inhibitionmentioning

confidence: 99%

Vicia faba peel extracts bearing fatty acids moieties as a cost-effective and green corrosion inhibitor for mild steel in marine water: computational and electrochemical studies

Abdelshafeek

Abdallah

El‐Sayed

et al. 2022

Sci Rep

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The goal of this research is to determine what chemicals are present in two different extracts (hexane and acetone) of Vicia faba (family Fabaceae, VF) peels and evaluate their effectiveness as a corrosion inhibitor on mild steel in a saline media containing 3.5% sodium chloride. Gas chromatography-mass spectrometry (GC/MS) was used to determine the composition of various extracts. It was determined that fourteen different chemicals were present in the hexane extract, the most prominent of which were octacosane, tetrasodium tetracontane, palmitic acid, and ethyl palmitate. Heptacosane, lauric acid, myristic acid, ethyl palmitate, and methyl stearate were some of the 13 chemicals found in the acetone extract. Using open circuit potential, potentiodynamic polarisation, and electrochemical impedance spectroscopic techniques, we can approximate the inhibitory effects of (VF) extracts on mild steel. The most effective inhibitory concentrations were found to be 200 ppm for both the hexane and acetone extracts (97.84% for the hexane extract and 88.67% for the acetone extract). Evaluation experiments were conducted at 298 K, with a 3.5% (wt/v) NaCl content and a flow velocity of about 250 rpm. Langmuir adsorption isotherm shows that the two extracts function as a mixed-type inhibitor in nature. Docking models were used to investigate the putative mechanism of corrosion inhibition, and GC/MS was used to identify the major and secondary components of the two extracts. Surface roughness values were calculated after analyzing the morphology of the metal's surface with and without (VF) using a scanning electron microscope (SEM). The results showed that throughout the surface of the mild steel, a thick adsorbate layer was formed. Quantum chemical calculations conducted on the two extracts as part of the theoretical research of quantum chemical calculation demonstrated a connection between the experimental analysis results and the theoretical study of the major chemical components.

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Section: Mechanism Of Corrosion Inhibitionmentioning

confidence: 99%

Vicia faba peel extracts bearing fatty acids moieties as a cost-effective and green corrosion inhibitor for mild steel in marine water: computational and electrochemical studies

Abdelshafeek

Abdallah

El‐Sayed

et al. 2022

Sci Rep

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“…Furthermore, Fukui functions have been used widely for the estimation of local reactivity within a molecule by determining the ability of an atom to either capture an electronic density of an nucleophile or release off part of its electronic density to an electrophile species. 73 On this basis, atoms can be classified as either local electrophile or nucleophile site and hence Fukui functions can be very informative regarding ligand–metal interactions. The analysis probes the energy changes when molecules approach each other, therefore takes into accounts mutual interactions between the approaching reactants.…”

Section: Resultsmentioning

confidence: 99%

Effective corrosion inhibition of mild steel in hydrochloric acid by newly synthesized Schiff base nano Co(ii) and Cr(iii) complexes: spectral, thermal, electrochemical and DFT (FMO, NBO) studies

et al. 2022

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“…PP measurement was performed at a 5 mV/s scan rate. The corrosion current was calculated using the Stern–Geary method. − The inhibition efficiency (IE PP ) and θ were estimated using i corr as follows …”

Section: Materials and Experimental Methodsmentioning

confidence: 99%

Anticorrosion Study for Brass Alloys in Heat Exchangers during Acid Cleaning Using Novel Gemini Surfactants Based on Benzalkonium Tetrafluoroborate

et al. 2022

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For a variety of applications, the brass alloy has been utilized to replace titanium tubes in heat exchangers. Copper alloys’ high corrosion rate during the acid cleaning procedure remains a significant concern. To inhibit the corrosion of brass alloys, we prepared two novel gemini surfactants (GSs), N 1 , N 3 -dibenzyl- N 1 , N 1 , N 3 , N 3 -tetramethylpropane-1,3-diaminium tetrafluoroborate (I H) and N 1 , N 1 , N 3 , N 3 -tetramethyl- N 1 , N 3 -bis (4-methyl benzyl) propane-1,3-diaminium tetrafluoroborate (I Me), and they were characterized using Fourier transform infrared spectroscopy and 1 H nuclear magnetic resonance spectroscopy. Their inhibition performance against corrosion of brass alloys in 1 M HCl was studied using electrochemical techniques including potentiodynamic polarization (PP), electrochemical impedance spectroscopy, and electrochemical frequency modulation. The inhibition effect of the synthesized compounds was high, and it increased as the inhibitor’s concentration was increased. The maximum level of inhibition efficiency was achieved at an inhibitor concentration of 100 ppm, reaching 96.42% according to PP measurements. From Langmuir data, the mechanisms of adsorption of the two GSs on the surface of copper was found to be physisorption and chemisorption adsorption. X-ray photoelectron spectroscopy and scanning electron microscopy show that the addition of the two compounds lowers the dissolution of brass ions in the corrosive solution and forms a protective layer on the surface of the brass.

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Papaver somniferum as an efficient corrosion inhibitor for iron alloy in acidic condition: DFT, MC simulation, LCMS and electrochemical studies

Cited by 58 publications

References 37 publications

Vicia faba peel extracts bearing fatty acids moieties as a cost-effective and green corrosion inhibitor for mild steel in marine water: computational and electrochemical studies

Vicia faba peel extracts bearing fatty acids moieties as a cost-effective and green corrosion inhibitor for mild steel in marine water: computational and electrochemical studies

Effective corrosion inhibition of mild steel in hydrochloric acid by newly synthesized Schiff base nano Co(ii) and Cr(iii) complexes: spectral, thermal, electrochemical and DFT (FMO, NBO) studies

Anticorrosion Study for Brass Alloys in Heat Exchangers during Acid Cleaning Using Novel Gemini Surfactants Based on Benzalkonium Tetrafluoroborate

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