Understanding the influence of solution's pH on the corrosion of tin in saline solution containing functional amino acids using electrochemical techniques and molecular modeling

Ibrahimi, Brahim El; Mouaden, Khadija El; Jmiai, A.; Baddouh, Ali; Issami, S. El; Bazzi, L.; Hilali, Mustapha

doi:10.1016/j.surfin.2019.100343

Cited by 44 publications

(10 citation statements)

References 57 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The charges used in the calculation were given by the employed force field. The adsorption energy (E ads ) of the furfural derivative on each metal surface type was calculated according to the following expression [8]:…”

Section: Monte Carlo Simulationsmentioning

confidence: 99%

“…As a preventive method to protect the material from corrosion [5][6][7][8], green-extracted natural products [5,[9][10][11] and small organic chemicals [12][13][14][15][16] have shown good properties. Compounds having heterocyclic and aromatic cores, having heterogeneous atoms such as oxygen, nitrogen and sulfur atoms, are widely used due to π and heterogeneous atom interactions with the surface of the metal [17][18][19][20][21][22].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media

et al. 2020

Self Cite

View full text Add to dashboard Cite

Nowadays, theoretical calculation tools have become powerful in predicting the behavior of corrosion inhibitors on the surface of metals and, therefore, avoiding energy consumption and the cost of experimental tests. This work aims to predict the inhibitory power of some furan derivatives on Cu (111), Fe (110), Al (111) and Sn (111) surfaces in acidic media. For this purpose, three furan derivatives—furan-2-carbaldehyde (FF1), 5-(hydroxymethyl)furfural (FF2) and 5-(hydroxymethyl)furoic acid (FF3)—have been selected to compare their intrinsic properties against corrosion as well as their behavior on iron (Fe), copper (Cu), aluminum (Al) and tin (Sn) surfaces in acid medium. Typically, the anti-corrosive properties of FF1, FF2 and FF3 were studied by using quantum chemical calculations and Monte Carlo simulations. Density Functional Theory (DFT), lowest unoccupied (ELUMO) and highest occupied (EHOMO) molecular orbital energies, energy gap (∆E), chemical hardness (η), softness (σ), electronegativity (χ), electrophilicity (ω) and nucleophilicity (ε) have been calculated and discussed. Theoretical vibrational spectra were also calculated to exhibit the functional groups in the selected chemicals. On the other hand, the adsorption behaviors of FF1, FF2 and FF3 were studied on the Fe(110), Cu(111), Al(111) and Sn(111) surfaces. As a result, the adsorption energies of all molecules are ordered as Fe(110) < Cu(111) < Al(111) < Sn(111) and FF3 seems to be more effective as a corrosion inhibitor due to the existence of both carboxylic acid and hydroxyl groups, which consist of favorable sites of adsorption into the metal surface.

show abstract

Section: Monte Carlo Simulationsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media

et al. 2020

Self Cite

View full text Add to dashboard Cite

show abstract

“…Afterward, the formed compact film acts as a protective barrier on metal against aggressive species existing in the surrounding environment [5,6]. Chemical adsorption involves the sharing of electrons between inhibitor molecules and the atoms of metal surface that leads to form coordination bonds, whereas physical bonding involves the electrostatic and/or van der Waals interactions between the inhibitor molecules and metal surface [7].…”

Section: Introductionmentioning

confidence: 99%

Azole-Based Compounds as Corrosion Inhibitors for Metallic Materials

Ibrahimi¹,

Guo²

2021

Azoles - Synthesis, Properties, Applications and Perspectives

Self Cite

View full text Add to dashboard Cite

To face against metallic corrosion and its corresponding undesirable consequences, the implementation of corrosion inhibitor compounds is a well-known method. In this regard, a wide range of organic heterocyclic molecules has been employed as anti-corrosion agents for several metal/medium systems. Azole-based compounds, namely, N-azole, N&S-azole (i.e., thiazole), and N and O-azole (i.e., oxazole) molecules, as well as their derivatives, have shown an excellent ability to act as efficient corrosion inhibitors for different metals and alloys in various corrosive media. For this purpose, we aim in the current chapter to discuss the application of these compounds as retarders of metallic corrosion as well as related highlighted outcomes in recent years.

show abstract

“…A wide-ranging variety of tin corrosion inhibitors such as different oils, epoxy phenolic lacquers, Sodium dodecyl-sulfate, amino acids, etc. were investigated and demonstrated effectiveness against tin corrosion [5][6][7][8].…”

Section: Introductionmentioning

confidence: 99%

Assessment of Corrosion Inhibition Performance and Adsorption Thermodynamics of Hydrogen Phosphate (HPO₄²⁻) and Molybdate (MoO₄²⁻) Oxyanions on Tin in Maleic Acid

et al. 2021

Self Cite

View full text Add to dashboard Cite

The influence of hydrogen phosphate (HPO42−) and molybdate ions (MoO42−) on the behavior of tin corrosion in 0.2 M maleic acid was compared using experimental and theoretical techniques. The experimental studies consisted of the electrochemical investigations (potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS)), along with the surface analytical techniques (SEM and EDX). Additionally, the theoretical analysis (the chemical quantum computations at MP4/SDD level of theory in the aqueous phase), was conducted. The experimental outcomes illustrated that the inhibition efficiency (η%) increases with the concentration of the inhibitors, reaching 88 % and 81 % at 2×10−2 M concentration of MoO42− and HPO42−, respectively. The potentiodynamic polarization curves revealed that HPO42− performance is a cathodic‐type inhibitor, while MoO42− shows a mixed‐type behavior. The increase in temperature decreased the η% values of both inhibitors. Based on surface analysis and thermodynamic study, the presence of the two inhibitors formed protective films on the tin surface through a physisorption mechanism. The chemical quantum computations using the complete fourth‐order Møller Plesset perturbation theory (MP4 with SDD basis) method results outlined the favorable affinity of the investigated inorganic inhibitors to interact with the tin surface, which interprets the well‐observed inhibition efficiencies.

show abstract

Understanding the influence of solution's pH on the corrosion of tin in saline solution containing functional amino acids using electrochemical techniques and molecular modeling

Cited by 44 publications

References 57 publications

Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media

Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media

Azole-Based Compounds as Corrosion Inhibitors for Metallic Materials

Assessment of Corrosion Inhibition Performance and Adsorption Thermodynamics of Hydrogen Phosphate (HPO₄²⁻) and Molybdate (MoO₄²⁻) Oxyanions on Tin in Maleic Acid

Contact Info

Product

Resources

About

Understanding the influence of solution's pH on the corrosion of tin in saline solution containing functional amino acids using electrochemical techniques and molecular modeling

Cited by 44 publications

References 57 publications

Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media

Furfural Analogs as Sustainable Corrosion Inhibitors—Predictive Efficiency Using DFT and Monte Carlo Simulations on the Cu(111), Fe(110), Al(111) and Sn(111) Surfaces in Acid Media

Azole-Based Compounds as Corrosion Inhibitors for Metallic Materials

Assessment of Corrosion Inhibition Performance and Adsorption Thermodynamics of Hydrogen Phosphate (HPO42−) and Molybdate (MoO42−) Oxyanions on Tin in Maleic Acid

Contact Info

Product

Resources

About

Assessment of Corrosion Inhibition Performance and Adsorption Thermodynamics of Hydrogen Phosphate (HPO₄²⁻) and Molybdate (MoO₄²⁻) Oxyanions on Tin in Maleic Acid