Exploring the potential role of pyrazoline derivatives in corrosion inhibition of mild steel in hydrochloric acid solution: Insights from experimental and computational studies

Lgaz, Hassane; Saha, Sourav Kr.; Chaouiki, Abdelkarim; Bhat, K. Subrahmanya; Salghi, R.; Shubhalaxmi,; Banerjee, Priyabrata; Ali, Ismat H.; Khan, Mair

doi:10.1016/j.conbuildmat.2019.117320

Cited by 151 publications

(36 citation statements)

References 79 publications

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“…A lower value of E indicates that an inhibitor molecule is more polarizable and could strongly interact wih a metal surface [61]. While it is not possible to discuss these parameters without comparing them with those of a similar compound, it is important to note that energy gap of the present molecule is very low, compared to many reported corrosion inhibitors [40,41,62]. Yet again, this observation confirms our finding that the investigated hydrazone derivative has outstanding corrosion inhibition effects.…”

Section: Global Reactivity Descriptorssupporting

confidence: 84%

“…represented in Figure S3 indicates that a high negative Mulliken atomic charge occur on N8, N9, O27, O28, O29, O30 atoms, and some carbon atoms as well. They are expected to be involved in interactions with the metal surface and are the most susceptible reactive sites for adsorption [41]. The widespread distribution of reactive sites is likely one of reasons why tested compound has a potent corrosion inhibition performance.…”

Section: Active Sitesmentioning

confidence: 99%

“…The presence of electron-rich aromatic rings and heteroatoms is expected to increase the transfer of loosely bound electrons from molecules to electron-deficient iron orbitals. Within this J o u r n a l P r e -p r o o f mechanism, the presence of two aromatic rings enables the inhibitor's molecule to donate π-electrons to unfilled iron orbitals [41].…”

Section: Protection Mechanism and Comparison With Other Hydrazonesmentioning

confidence: 99%

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Enhanced corrosion inhibition of carbon steel in HCl solution by a newly synthesized hydrazone derivative: Mechanism exploration from electrochemical, XPS, and computational studies

Khamaysa

Selatnia

Zeghache

et al. 2020

Journal of Molecular Liquids

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The corrosion inhibition properties of a synthesized hydrazone derivative namely, 1-(4-isopropyl phenyl)-2-(2,4-dinitrophenyl) (HYD (iso)) on API 5L-X60 carbon steel (CS) in 1.0 M HCl solution were evaluated by chemical, electrochemical, X-ray photoelectron spectroscopy (XPS) and theoretical studies. The obtained results revealed that the tested compound acted as a good corrosion inhibitor with inhibition Journal Pre-proof J o u r n a l P r e-p r o o f 2 efficiency of 96.32% at a concentration of 5×10-3 M. The polarization technique indicated that the HYD (iso) belonged to mixed-type inhibitors, preventing simultaneously anodic and cathodic reactions. The binding between the HYD (iso)'s molecule and CS surface follows a Langmuir adsorption type model and its inhibition mechanism is assisted by physical and chemical interactions. Scanning electron microscope (SEM) and contact angle analyses were performed to examine the surface morphology of inhibited and uninhibited samples. Additionally, theoretical studies using Density Functional Theory (DFT) and molecular dynamics (MD) simulation were performed to explore the most reactive sites of the hydrazone molecule and its adsorption mechanism.

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Section: Global Reactivity Descriptorssupporting

confidence: 84%

Section: Active Sitesmentioning

confidence: 99%

Section: Protection Mechanism and Comparison With Other Hydrazonesmentioning

confidence: 99%

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Enhanced corrosion inhibition of carbon steel in HCl solution by a newly synthesized hydrazone derivative: Mechanism exploration from electrochemical, XPS, and computational studies

Khamaysa

Selatnia

Zeghache

et al. 2020

Journal of Molecular Liquids

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“…Therefore, the synthesis of pyrazolines has gained many researchers interested because of their non-toxicity, thermal stability, and difficult degradability 16,17 , which makes it an important ecofriendly corrosion inhibitor 16 . Many studies were performed using pyrazoline derivatives as a corrosion inhibitor to protect the metals and alloys such as steel and copper in aggressive media [18][19][20][21] . As copper is widely used in many urban and industrial applications such as pipelines for water supply in industrial and domestic utilities, heat conductors, and electricity transmission lines, including offshore power cables submersed in seawater 20,22 .…”

Section: Introductionmentioning

confidence: 99%

“…Many studies were performed using pyrazoline derivatives as a corrosion inhibitor to protect the metals and alloys such as steel and copper in aggressive media [18][19][20][21] . As copper is widely used in many urban and industrial applications such as pipelines for water supply in industrial and domestic utilities, heat conductors, and electricity transmission lines, including offshore power cables submersed in seawater 20,22 . It is relevant to recall that seawater is characterized by 1 to 4% of NaCl 22 .…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Characterization, Theoretical and Electrochemical Studies of Pyrazoline Derivatives

Soumane¹,

Baouid²,

Hadrami³

et al. 2020

Mediterr.J.Chem.,

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The reaction of 1,3-dipolar cycloaddition of trans-anethole and three different diarylnitrilimines bearing different substituents X= {H, CH3, Cl} yield to the creation of three 1,3,4,5-tetrasubstituted pyrazoles. These reactions produce a single regioisomer. These compounds' structures were studied using diverse spectroscopic techniques such as 1H, 13C NMR, and HRMS. Afterwards, X-ray diffraction is performed at 5-(4-methoxyphenyl)-4-methyl-1,3-diphenyl-4,5-dihydro-1H-pyrazole. Also, Density Functional Theory (DFT) is performed to characterize these cycloadducts.Moreover, these synthesized compounds' molecular geometry and electronic structures have been studied using high-level ab initio calculations and DFT using the B3LYP functional. All geometries have been optimized at the B3LYP/6-311+G(d,p) basis set with different kinds of solvents. In the end, the protection against corrosion of copper surface is tested using these pyrazolines. As a result, the experimental analysis proved that the obtained cycloadducts belong to the pyrazoline family. Also, X-ray diffraction determined the stereochemistry of these compounds. DFT-based calculations revealed the existence of three stable conformations of each compound. The theoretical study and the experimental spectroscopic data showed perfect matching. The electrochemical investigation indicates that these pyrazoline compounds exhibit a good inhibition performance, preventing the degradation of copper in NaCl (3%) solution with a high inhibition efficiency of 80%.

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Water soluble redox‐active polyurethanes as efficient corrosive inhibitors for mild steel

Prasad Paradhakshina,

Dhore,

Arukula

et al. 2024

J of Applied Polymer Sci

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There is a necessity for an eco‐friendly inhibitor technology to safeguard mild steel from corrosion. Redox‐active Oligoanilines, namely diamine‐capped trimer (DCTA) and tetramer (DCTAni) have been synthesized and incorporated into the polyurethane backbone derived from polyethylene glycols (PEG, Mw = 2050, 4000) and toluene diisocyanate (TDI). The four water‐soluble polyurethanes, resulting from PEG, TDI, and DCTA/DCTAni, were denoted as IH‐1, IH‐2, IH‐3, and IH‐4. The corresponding redox‐active polyurethanes were rationally characterized using FTIR, and UV–visible spectroscopies. Scanning electron microscopy (SEM) was employed to investigate the surface morphology. The electrochemical properties of these inhibitors were characterized by cyclic voltammetry (CV). All the inhibitors were studied for their corrosion inhibition efficiency using Tafel potentiodynamic polarization analysis and weight loss methods. These demonstrated high efficacy at a low concentration of 200–300 ppm. The absorptivity of polymers on the mild steel were confirmed by Langmuir adsorption isotherms with a well‐fitting (R2 = 99.9%). The SEM analysis showed the adsorption capacity of inhibitors as protective layers for the mild steel panels. Overall, this work paves the way for innovative ideas for producing more water‐soluble and electrochemically active polymer additives as excellent corrosive inhibitors for mild steel surfaces.

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Exploring the potential role of pyrazoline derivatives in corrosion inhibition of mild steel in hydrochloric acid solution: Insights from experimental and computational studies

Cited by 151 publications

References 79 publications

Enhanced corrosion inhibition of carbon steel in HCl solution by a newly synthesized hydrazone derivative: Mechanism exploration from electrochemical, XPS, and computational studies

Enhanced corrosion inhibition of carbon steel in HCl solution by a newly synthesized hydrazone derivative: Mechanism exploration from electrochemical, XPS, and computational studies

Synthesis, Characterization, Theoretical and Electrochemical Studies of Pyrazoline Derivatives

Water soluble redox‐active polyurethanes as efficient corrosive inhibitors for mild steel

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