Electrochemical and theoretical considerations for interfacial adsorption of novel long chain acid pyrazole for mild steel conservation in 1 M HCl medium

doi:10.1016/j.cdc.2020.100638

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Volume 31, February 2021, 100638

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Abstract

This work aims to be a contribution in the field of corrosion control and proposes to study the effect of molar hydrochloric acid on mild steel (MS) in the presence and in the absence of 11-(Bis((1H-pyrazol-1-yl)methyl)amino)undecanoic acid(L4), employing the gravimetric method and stationary (PDP) and transient electrochemical (EIS) techniques. In addition to the experimental measurements employed in our study, DFT and molecular dynamic simulation (MDS) were employed. The inhibitory performance of this compound increases with its concentration as well as the temperature of the aggressive medium to reach a value of 99.5% at at 10⁻³ M and at the temperature 308 K. It can be found that L4 is a mixed-type corrosion inhibitor predominantly anodic. The thermodynamic study has shown that its adsorption is chemical in nature and follows the Langmuir isotherm model. The DFT and MD results are correlating with the experimentally obtained results.

Section snippets

Rationale

Acid solutions are commonly employed in industry, especially in pickling, removing unwanted surface layers from metal surfaces, and in many industrial synthesis processes. Because of the aggressive nature of acid solutions, the utilize of corrosion inhibitors for metals and alloys has become essential. However, the methods employed to inhibit corrosion must take into account the particular parameters of the system. The choice of an inhibitor depends on the nature of the acid, its quantity, the

Synthesis procedure of inhibitor

The new long chain pyrazol-ligand(L4) was synthesized by M. Lamsayah et al. [19]. The synthesis of our ligand is prepared according to the following reaction (Fig. 1):

Metals and aggressive solutions

Employing a hacksaw, we cut the metal plate (mild steel) to have the dimensions of 25 × 20 × 1 mm for the utilize of weight loss measures, and circular coupons of 100 mm² for electrochemical studies. The maintenance of the metal surface before each experiment is carried out as follows, polishing, degreased, washed and dried by

Influence of L4 concentration

This method has the advantage of being a simple implementation, of not requiring a large apparatus, but does not allow the approach of the mechanisms involved during corrosion. Mass loss measurements are a first approach to studying the inhibition of corrosion of a metal in an electrolytic solution. The variation in the mass of MS is determined after 360 min of immersion in 1 M HCl at a temperature equal to 308 K, beforehand and afterward adding of diverse concentrations of L4. Table 1 displays

Conclusions

The inhibitive performance of 11-(Bis((1H-pyrazol-1-yl)methyl)amino)undecanoic acid(L4) for MS corrosion in 1 M HCl were investigated by systematic experimental and theoretical approaches. Tafel curves indicate that L4 acts as a mixed-type corrosion inhibitor with predominantly anodic and provides superior inhibition performance for steel corrosion in HCl medium at different temperatures owing to multiple adsorption of L4 molecules. The impedance study also pointed towards the better R_p values

Declaration of Competing Interest

The authors have declared no conflict of interest.

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In this study, two inhibitors namely 6-Chloro −2-phenylimidazo[1,2-a]pyridine (Pyr1) and 6-Chloro-2-(4- Chlorophenyl)imidazo[1,2-a]pyridine (Pyr2) were used to investigate their inhibition ability toward mild steel corrosion in 1 M HCl using electrochemical techniques and quantum approaches. The two inhibitors show corrosion inhibition efficiency of 98.35% and 97.57% for Pyr2 and Pyr1 respectively at the optimum concentration 10^-3 M. This is due to the features of the substituent group and the effect of its emplacement in the phenyl ring. The electrochemical measurements reveal that both anodic and cathodic current are affected by these organic compounds so they are classified as mixed-type inhibitors with predominance cathodic character. The inhibited solution was analysed using UV spectrometer, which indicates a tendency to develop a complex between inhibitors and ferrous ions. The computational approaches were performed in order to examine the correlation between inhibition efficiency and molecular structure of the inhibitors Pyr1 and Pyr2.
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Citation Excerpt :
According to a literature review, organic sulfur and nitrogen-containing inhibitors are effective anticorrosion materials for steel corrosion in HCl and H2SO4 acids [12,13]. Several studies have looked into the synthesis of pyrazole derivatives as corrosion inhibitors for steel alloys in HCl acid with high inhibition performance [14], such as N,N-bis (3-Carbohydrazide-5-methylpyrazole-1-yl) methylene, and 1,4-bis (3-Carbohydrazide-5-methylpyrazole-1-yl) methylene (3-Carbohydrazide-5-methylpyrazol-1-yl) 11-(Bis((1H-pyrazol-1-yl)methyl)amino)undecanoic acid, (E)-5-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amin (4-methoxyphenyl) –N′-(1-(4-methoxyphenyl)ethylidene) (E)-5-amino-N′-pyrazole-4-carbohydrazide and -1H-pyrazole-4-carbohydrazide (4-chlorobenzylidene) -3-(4-chlorophenyl) 1,1′-(propane-1,3-diyl)bis (5-methyl-1H-pyrazole-3-carbohydrazide) and 1,1′-(oxy bis (ethane −2,1-diyl) bis (5-methyl-1H-pyrazole-3-carbohydrazide) bis (5-methyl-1H-pyrazole-3-carbohydrazide) bis (5-methyl-1H-pyrazole-3-carb [15–18]. Lgaz et al. [19] investigated the corrosion inhibitory properties of pyrazoles, which are symbolized as P1 and P2 for steel alloys in 1.0 M HCl.
A novel organic corrosion inhibitor, named 3, 5-dimethyl-1H-pyrazol-1-yl m (4-((4-hydroxybenzylidene) amino) phenyl) methanone (DPHM) has been effectively synthesized and characterized. The diagnosis of functional groups and constituents of DPHM has been conducted by FTIR, ¹H NMR, and ¹³C NMR. The inhibitor efficacy for low-carbon steel in 1 M HCl was evaluated by using weight loss and electrochemical techniques. The inhibition efficiency was increased with increasing the temperature and DPHM concentrations. The inhibition efficiency approaches a maximum value of 89.5% at 400 ppm of DPHM and 60 °C. The efficiency of the inhibitor was attributed to the formation of a protective mono-layer on the steel surface. The Langmuir adsorption isotherm was used to inspect the adsorption process mechanism. Theoretical quantum chemical simulations were used to investigate the mechanism of inhibition. The results revealed that the DPHM was the donor of electron, while the steel surface was an electron acceptor. Mathematical and statistical modelling were used as powerful tool for data representation. Exponential model, with 0.992 correlation coefficient, was the most accurate one.
Synthesis and anticorrosive activity of two new imidazo[1, 2-a]pyridine Schiff bases
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Imidazo[1, 2-a]pyridine is the subject of several scientific studies due to its various chemical applications, including the inhibition of corrosion of mild steel in acidic environments [7–11] or in the therapeutic field: anticancer [12,13], antiulcer [14,15], antibacterial [16], antifungal agents [17], calcium channel blocks [18]. Most powerful inhibitors of corrosion in acidic medium are those compounds containing heteroatoms like nitrogen, oxygen, sulfur, phosphorus , etc [19–22]. Corrosion inhibition is generally achieved by forming a protective film on the metal surface.
In the present work, the synthesis of two new imidazo[1, 2-a]pyridine derivatives belonging to the schiff base family was performed. They are named respectively : (E)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-(thiophen-2-yl)methanimine ( ${IP}_{1}$ ) and (E)-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-(5-nitrothiophen-2-yl)methanimine ( ${IP}_{2}$ ). The ligands were synthesized from a condensation reaction between 2-phenylimidazo[1,2-a]pyridin-3-amine and a commercial aldehyde (2-thiphencarbaldehyde for ${IP}_{1}$ and 5-Nitro-2-thiophencarbaldehyde for ${IP}_{2}$ in the presence of a catalytic amount of acetic acid in diethyl ether). The structures of the titrated compounds were determined using various spectroscopic techniques such as ¹H NMR, ¹³C NMR, FT-IR and MS.
However, the synthetic ligands showed very good inhibitory efficacy against corrosion of mild steel in 1 M HCl medium. This was evaluated by various electrochemical techniques such as mass loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). The experimental results showed that the inhibitory efficiency of the synthesized ligands improves with the increase of concentration to reach the maximum value of 91% for ${IP}_{1}$ and 96% for ${IP}_{2}$ for a concentration of 10⁻³M, which translates that the surface covered by the inhibitor increases with the concentration. In addition, quantum chemical calculation based on density functional theory (DFT) confirmed the existence of good correlations between experimental and predicted spectroscopic data. Surface analysis carried out by SEM and AFM showed a smooth surface in the presence of the ligands ${IP}_{1}$ and ${IP}_{2}$ .
(3,5-dimethyl-1H-pyrazol-1-y1) (4-((3,4-dimethoxybenzylidene) amino) phenyl) methanone as a novel corrosion inhibitor for low-carbon steel in hydrochloric acid: Synthesis, diagnosis, and application
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Steel corrosion in HCl and H2SO4 acids can be effectively combated with organic sulfur and nitrogen-containing inhibitors, according to a review of the literature [12,13]. The synthesis of pyrazole derivatives with high inhibition performance as corrosion inhibitors for steel alloys in HCl acid has been the subject of several studies [14], including N,N-bis (3-Carbohydrazide-5-methylpyrazole-1-yl) methylene, and 1,4-bis (3-Carbohydrazide-5-methylpyrazole-1-yl) methylene (3-Carbohydrazide-5-methylpyrazol-1-yl) 11-(Bis((1H-pyrazol-1-yl)methyl)amino)undecanoic acid, (E)-5-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amino-3-amin (4-methoxyphenyl) -N′-(1-(4-methoxyphenyl)ethylidene) (E)-5-amino-N′-pyrazole-4-carbohydrazide and −1H-pyrazole-4-carbohydrazide (4-chlorobenzylidene) −3-(4-chlorophenyl) 1,1′-(propane-1,3-diyl)bis (5-methyl-1H-pyrazole-3-carbohydrazide) and 1,1′-(oxy bis (ethane −2,1-diyl) bis (5-methyl-1H-pyrazole-3-carbohydrazide) bis (5-methyl-1H-pyrazole-3-carbohydrazide) bis (5-methyl-1H-pyrazole-3-carb [15–18]. Lgaz et al [19] investigated the corrosion inhibitory properties of pyrazoles, which symbolled as P1 and P2 for steel alloy in 1.0 M HCl and are highly effective inhibitors.
A novel organic corrosion inhibitor, named (3,5-dimethyl-1H-pyrazol-1-y1) (4-((3,4-dimethoxybenzylidene) amino) phenyl) methanone (DPMM) has been effectively synthesized and characterized. FTIR and NMR have been used to diagnose DPMM's functional groups and components. Electrochemical and weight loss methods were used to assess the inhibitor efficacy for low-carbon steel in 1 M HCl. By raising the temperature and DPMM concentrations, the inhibition efficiency improved. The inhibition efficiency approached 95.5 % at 400 ppm of DPMM and 60 °C. The efficiency of the inhibitor was ascribed to the formation of a protective mono-layer on the steel surface. The mechanism of the adsorption process was examined using the Langmuir adsorption isotherm, whereas the mechanism of inhibition was examined using theoretical quantum chemical simulations. The results revealed that the DPMM was the donor of electron, while the steel surface was an electron acceptor.
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Data ArticleElectrochemical and theoretical considerations for interfacial adsorption of novel long chain acid pyrazole for mild steel conservation in 1 M HCl medium

Abstract

Section snippets

Rationale

Synthesis procedure of inhibitor

Metals and aggressive solutions

Influence of L4 concentration

Conclusions

Declaration of Competing Interest

Arab. J. Chem.

Prog. Org. Coat.

Appl. Surf. Sci.

Appl. Surf. Sci.

Mater. Chem. Phys.

Colloids Surf. A

Appl. Surf. Sci.

Int. J. Electrochem. Sci.

Int. J. Biol. Macromol.

Corros. Sci.

Chem. Phys. Lett.

Heliyon

Corros. Sci.

J. Mol. Liq.

J. Mol. Liq.

Int. J. Electrochem. Sci.

Int. J. Electrochem. Sci.

J. Saudi Chem. Soc.

J. Mol. Liq.

Arab. J. Chem.

Egypt. J. Pet.

Electrochem. Commun.

Corros. Sci.

Corros. Sci.

Trans. Nonferrous Met. Soc. China

Electrochim. Acta

J. Electroanal. Chem.

J. Mol. Liq.

J. Mol. Liq.

Results Phys.

Chem. Data Collect.

J. Mol. Liq.

Chem. Data Collect.

J. Mol . Liq.

J. Taiwan. Inst. Chem. E

J. King Saud Univ. Sci.

Surf. Interfaces

J. Mol. Liq.

Comput. Theor. Chem.

Corros. Sci.

Data Article
Electrochemical and theoretical considerations for interfacial adsorption of novel long chain acid pyrazole for mild steel conservation in 1 M HCl medium