Experimental and Theoretical Approach on the Enhanced Inhibitory Effect of Tetracyclic Triterpenes for Stainless Steel Corrosion in Sulfuric Acid

Koumya, Yassine; Idouhli, Rachid; Sayout, Ahlam; Abouelfida, A.; Benyaich, A.; Romane, Abderrahmane

doi:10.1007/s11661-019-05191-3

Cited by 13 publications

(5 citation statements)

References 32 publications

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“…

where ρ k ( N ), ρ k ( N + 1), and ρ k ( N −1) are the electronic densities of site k for neutral, anionic, and cationic species, respectively. The highest values of

and

are consistent with the most likely sites for nucleophilic and electrophilic attacks, respectively [ 115 ].…”

Section: Experimental and Theoretical Research Methods And Characteri...mentioning

confidence: 76%

“…The Fukui function represents the change in the electron density of a molecule at a given position as the number of electrons changes, which is defined as the first derivative of the electron density ρ ( r ) with respect to the number of electrons N at a constant external potential v( r ) (as shown in Equation (52)) [ 114 ]. A previous study by Koumya et al [ 115 ] demonstrated that a larger f ( r ) corresponds to a more reactive active center in a molecule, and the calculation of the Fukui indices (

and

) is helpful to investigate the local reactivity of a molecule. Additionally, Morell et al first proposed the concept of the dual descriptor (Δ f ( k )), that is, the dual descriptor with a positive sign represents that an atom acts as an electrophilic species, and a negative sign represents that an atom acts as a nucleophilic species [ 116 ].…”

Section: Experimental and Theoretical Research Methods And Characteri...mentioning

confidence: 99%

“…The Fukui function represents the change in the electron density of a molecule at a given position as the number of electrons changes, which is defined as the first derivative of the electron density ρ(r) with respect to the number of electrons N at a constant external potential v(r) (as shown in Equation ( 34)) [114]. A previous study by Koumya et al [115] demonstrated that a larger f(r) corresponds to a more reactive active center in a molecule, and the calculation of the Fukui indices (…”

Section: Dft Calculationsmentioning

confidence: 99%

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Organic Compounds as Corrosion Inhibitors for Carbon Steel in HCl Solution: A Comprehensive Review

Chen

Zhang

2022

Materials

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Most studies on the corrosion inhibition performance of organic molecules and (nano)materials were conducted within “carbon steel/1.0 M HCl” solution system using similar experimental and theoretical methods. As such, the numerous research findings in this system are sufficient to conduct comparative studies to select the best-suited inhibitor type that generally refers to a type of inhibitor with low concentration/high inhibition efficiency, nontoxic properties, and a simple and cost-economic synthesis process. Before data collection, to help readers have a clear understanding of some crucial elements for the evaluation of corrosion inhibition performance, we introduced the mainstay of corrosion inhibitors studies involved, including the corrosion and inhibition mechanism of carbon steel/HCl solution systems, evaluation methods of corrosion inhibition efficiency, adsorption isotherm models, adsorption thermodynamic parameters QC calculations, MD/MC simulations, and the main characterization techniques used. In the classification and statistical analysis section, organic compounds or (nano)materials as corrosion inhibitors were classified into six types according to their molecular structural characteristics, molecular size, and compound source, including drug molecules, ionic liquids, surfactants, plant extracts, polymers, and polymeric nanoparticles. We outlined the important conclusions obtained from recent literature and listed the evaluation methods, characterization techniques, and contrastable experimental data of these types of inhibitors when used for carbon steel corrosion in 1.0 M HCl solution. Finally, statistical analysis was only performed based on these data from carbon steel/1.0 M HCl solution system, from which some conclusions can contribute to reducing the workload of the acquisition of useful information and provide some reference directions for the development of new corrosion inhibitors.

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“…

where ρ k ( N ), ρ k ( N + 1), and ρ k ( N −1) are the electronic densities of site k for neutral, anionic, and cationic species, respectively. The highest values of

and

are consistent with the most likely sites for nucleophilic and electrophilic attacks, respectively [ 115 ].…”

Section: Experimental and Theoretical Research Methods And Characteri...mentioning

confidence: 76%

and

Section: Experimental and Theoretical Research Methods And Characteri...mentioning

confidence: 99%

“…The Fukui function represents the change in the electron density of a molecule at a given position as the number of electrons changes, which is defined as the first derivative of the electron density ρ(r) with respect to the number of electrons N at a constant external potential v(r) (as shown in Equation ( 34)) [114]. A previous study by Koumya et al [115] demonstrated that a larger f(r) corresponds to a more reactive active center in a molecule, and the calculation of the Fukui indices (…”

Section: Dft Calculationsmentioning

confidence: 99%

See 1 more Smart Citation

Organic Compounds as Corrosion Inhibitors for Carbon Steel in HCl Solution: A Comprehensive Review

Chen

Zhang

2022

Materials

View full text Add to dashboard Cite

show abstract

“…erefore, the observed features can be explained by the physical adsorption of the inhibitor on the metal surface [24]. e determination of the activation energy E a and enthalpy and entropy of activation (ΔH * a , ΔS * a ) from Arrhenius equations can be found in detail elsewhere [10,[24][25][26][27] and is summarized in Table 6. Figure 5 shows the plot of ln (i corr ) against 1/T in the absence and presence of inhibitor; from the slope (−E a /R), the value of the apparent activation energy is determined.…”

Section: Ermodynamic Parametersmentioning

confidence: 99%

Synthesis, Electrochemical, Thermodynamic, and Quantum Chemical Investigations of Amino Cadalene as a Corrosion Inhibitor for Stainless Steel Type 321 in Sulfuric Acid 1M

Koumya

Idouhli

Oukhrib

et al. 2020

International Journal of Electrochemistry

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The corrosion of stainless steel is one of the major industries’ issues that gained wide interest among researchers. It became necessary to develop and apply eco-friendly approaches to corrosion control. This work explores the inhibitory effect of a newly synthesized amino cadalene (ACM) on the corrosion of stainless steel type 321 in sulfuric acid 1M. Particularly, the experimental study consisting of electrochemical and surface analyses was conducted in conjunction with a theoretical approach. The electrochemical results showed that ACM acted as a mixed-type corrosion inhibitor and the inhibition efficiency attained 91% at 10−3M. EIS measurements revealed that both metal charge transfer and diffusion processes are involved in the interfacial metal/solution reactions. The interfacial mechanism is thoroughly investigated; the physisorption of the protonated molecules was preceded by the formation of a negative layer due to adsorption of the solution anionic species. The experimental insights are corroborated with the quantum chemical calculations.

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“…[4][5][6][7][8] Today's anticorrosion measures mainly include corrosion-resistant materials, anode and cathode protection, surface coating, corrosion inhibitors, and so on. Corrosion inhibitors are mainly used for long-term protection of medium or lighter corrosive metal systems, [9][10][11][12] only a small amount can be used to protect the metal surface. The corrosion inhibitor not only reduces the corrosion rate, but also maintains the original physical and mechanical properties of the metal material without changing the corrosive environment.…”

Section: Introductionmentioning

confidence: 99%

Construction of eco‐friendly corrosion inhibitor lignin derivative with excellent corrosion‐resistant behavior in hydrochloric acid solution

Gao

Zhao

Liu

et al. 2020

Materials & Corrosion

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Organic corrosion inhibitors from natural plant resources have received extensive attention in recent years. Herein, an eco-friendly corrosion inhibitor lignin-(2,3-epoxypropyl)trimethyl ammonium chloride (EPTAC) was successfully prepared by grafting EPTAC to kraft lignin. The inhibiting efficiency and its inhibition mechanism were investigated using electrochemical methods, adsorption thermodynamics analysis, and molecular dynamic simulation. The results showed that the lignin-EPTAC molecules formed a protective film on iron surface, resulting in an excellent inhibition efficiency of 97.80% at 100 mg/L concentration. The average surface roughness of steel samples was reduced to 26.6 nm from the original 99.3 nm. The adsorption of lignin-EPTAC molecules on the steel surface follows Langmuir adsorption isotherm model and was a physical-chemical process as well as an exothermic process of entropy reduction. This adsorption of lignin-EPTAC was a conjugated system dominated by benzene ring of lignin-EPTAC to form a chemical bond on the steel surface by conjugation, besides a positive interaction between the metal surface and the positively charged N ions in the head group of lignin-EPTAC.

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Experimental and Theoretical Approach on the Enhanced Inhibitory Effect of Tetracyclic Triterpenes for Stainless Steel Corrosion in Sulfuric Acid

Cited by 13 publications

References 32 publications

Organic Compounds as Corrosion Inhibitors for Carbon Steel in HCl Solution: A Comprehensive Review

Organic Compounds as Corrosion Inhibitors for Carbon Steel in HCl Solution: A Comprehensive Review

Synthesis, Electrochemical, Thermodynamic, and Quantum Chemical Investigations of Amino Cadalene as a Corrosion Inhibitor for Stainless Steel Type 321 in Sulfuric Acid 1M

Construction of eco‐friendly corrosion inhibitor lignin derivative with excellent corrosion‐resistant behavior in hydrochloric acid solution

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