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In this work the adsorption and corrosion inhibition conduct of chalcone oxime derivatives on carbon steel in 0.5 M sulfuric acid solution at various temperatures (293, 303, 313, and 323 K) were investigated through weight loss measurements, potentiodynamic polarization, and electrochemical impedance spectroscopy. Results reveal that CO–H and CO–OM...
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In this research work, a new and green corrosion inhibitor based on new imidazole derivate (IMD) was introduced for carbon steel in 1 M HCl medium. Its inhibition properties were fully characterised by the gravimetric, electrochemical, surface and quantum chemical analyses. The experimental results confirmed that the inhibition efficiency of IMD wa...
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... Issues such as production stoppages, replacement of corroded parts, accidents, and pollution risks are common, often resulting in substantial economic impacts [1][2][3][4][5][6][7][8][9]. Protecting metals from corrosion is crucial [10,11], especially in the chemical industry where acid solutions like H 2 SO 4 , HCl, H 3 PO 4 , and HNO 3 are frequently used for metal stripping, industrial cleaning, and removal of localized deposits [12][13][14]. The aggressive nature of these acid solutions necessitates the use of corrosion inhibitors to prevent or minimize attacks on metallic materials [15,16]. ...
In this work, the new benzimidazole derivative, 5-Bromo-1,3-dihydro-4,6,7-trinitrobenzimidazol-2-one (BTB), was synthesized, characterized, and evaluated as a corrosion inhibitor for N80 carbon steel in a 1 M HCl medium. The comprehensive study of BTB’s inhibitory action was conducted through mass loss measurements and electrochemical analyses, including potentiodynamic polarization curves and electrochemical impedance spectroscopy. The results of electrochemical studies revealed a remarkable corrosion inhibition efficiency, exceeding 95% at 298 K in presence of 10⁻³M of BTB in solution. This efficiency showed a proportional increase with concentration, though slightly attenuated with rising temperature. Electrochemical impedance spectroscopy characterized the corrosion inhibition process, revealing a charge transfer mechanism. Polarization curves suggested that BTB acted as a mixed-type inhibitor. While the adsorption mode followed the Langmuir adsorption isotherm. The free energy of adsorption, evaluated at − 41.19 KJ.mol⁻¹, supported a chemisorption process. Scanning electron microscopy (SEM) observations complemented this study by revealing the formation of a protective layer on the metal surface in the presence of the inhibitor. Additionally, density functional theory (DFT) calculations were integrated for a theoretical investigation of the inhibitor’s reactivity and its interaction with the iron surface. The combined analysis of experimental and theoretical results highlighted that the inhibition potential of the tested inhibitor depends on its electron donation/acceptance capacity. The findings indicate that BTB has the potential to serve as a good corrosion inhibitor for N80 steel in a 1 M HCl medium.
... Metal corrosion inhibition can vary according to the particular type of metal and the properties of the inhibitor compounds. They may bind to metal surfaces through physisorption, chemisorption, or both [13,14]. Due to their higher chelating activity and reduced electronegativity, compounds containing nitrogen demonstrated effective protection levels [15,16]. ...
... In addition, these three parameters helped us to better understand the mechanism of action of these two products on the surface of the substrate. In addition, the thermodynamic parameters were determined according to Equations (13) and (14) [73,85]. ...
This study assessed the corrosion inhibitory and adsorption properties of two imidazol derivatives, namely 5-((2,4,5-triphenyl-1H-imidazol-1-yl)methyl)quinolin-8-ol (TIMQ) and 5-((2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazol-1-yl)methyl)quinolin-8-ol (CDIQ), on carbon steel (CS) in 1 M of HCl using electrochemical methods, including electrochemical impedance spectroscopy (EIS), potentiodynamic polarization measurements (PDP), UV–visible spectroscopy (UV–v), scanning electron microscopy (SEM), and molecular modeling. The findings showed that TIMQ and CDIQ were potent inhibitors with inhibition efficiencies of 94.8% and 95.8%, respectively. The potentiodynamic polarization experiments showed that the inhibitors worked as mixed-type inhibitors, and the impedance investigations supported the improvement of a protective layer for the inhibitor on the metal surface. Each inhibitor was adsorbed onto the carbon steel surfaces, according to the Langmuir adsorption method. The steel was shielded from acidic ions by an adsorbed coating of the inhibitor molecules, according to SEM. Density functional theory (DFT) calculations and molecular dynamics (MD) simulations were used to inspect the results, and a good correlation was found between these results and those of the study. This information can be applied to determine the effectiveness of inhibitors in a HCl acid solution.
... The presence of 1 × 10 −4 M ADAO in the corrosive medium leads to an increase in the E a value, attributed to the adsorption of ADAO onto the CS surface and the formation of a protective film [45] , which make the corrosion process more difficult by hindering the access of corrosive ions to the surface and therefore decreases the rate of corrosion [47] . The positive values of H a reveal that the formation of activated complex is endothermic process, which suggesting to the slow dissolution of CS steel in the presence of 1 × 10 −4 mol/L of ADAO [48] . The value of S a in the presence of the tested compound is lower than that in the HCl solution and oriented towards positive value signifying that ADAO impede the reduction of the disorder for the entire system caused by the adsorption of corrosion stimulants on CS. ...
A new imine derivative, namely 4-amino-2-((2,4 dihydroxybenzylidene)amino)-4 oxobutanoic acid (ADAO), was synthesized, characterized, and evaluated as a corrosion inhibitor for carbon steel (CS) in 1.0 mol/L HCl. Its molecular structure was elucidated by different spectroscopic analysis methods such as UV, FTIR, 1H, and 13C NMR. The corrosion inhibition behavior was investigated by weight loss, electrochemical techniques, surface analysis, and computational approaches (quantum chemical calculations and molecular dynamics (MD) simulations). Obtained outcomes showed that the ADAO displayed excellent effectiveness for CS corrosion inhibition, and its inhibition performance raised with its concentration reaching a maximum inhibition efficiency of 97.24% at 10-4 mol/L. Moreover, the influence of immersion time and temperatures were investigated and discussed. The adsorption behavior of the studied inhibitor followed Langmuir isotherm and revealed the presence of both physical and chemical processes upon interaction with the steel surface. Potentiodynamic polarization (PDP) outcomes demonstrated that ADAO acts as a mixed type inhibitor. EIS results showed that the charge transfer resistance Rct increases and double layer capacitance Cdl decreases in the presence of the synthesized imine, which suggests their adsorption on the steel surface. SEM analysis revealed the formation of a protective film on the carbon steel surface. Quantum chemical calculations indicated that the C=N is the privileged site for the adsorption of the ADAO on the iron surface.
... Due to its high resistance, high durability, and fairly low cost, CS remains one of the most frequently used materials in the manufacturing industries [1][2][3][4]. It is well known that the pickling process is used in the field of metal surface treatment, which involves the need to use an acid solution to reduce scale and impurities on the steel surface. ...
The anti-corrosion features of 1-dodecyl-3-phenylquinoxalin-2(1H)-one (QO12) for carbon steel CS were evaluated in a 1 M HCl solution using potentiodynamic polarization (PDP), electrochemical impedance (EIS) and UV-visible spectroscopy, and scanning electron microscopy (SEM), as well as quantum-chemical methods. The inhibition performance achieves a maximum of 95.33% at 0.001 M. The PDP study revealed that QO12 acts with the character of a mixed-type inhibitor. The EISs mention that the process of corrosion for CS is essentially predominated by the transfer-of-charge mechanism. Moreover, quinoxalinone adsorption follows the Langmuir adsorption isotherm. SEM snapshots show no deterioration after the contribution of QO12 compared to the reference electrolyte. Theoretical calculations suggest that the envisaged inhibitor presents a perfect arrangement capacity through the structure of quinoxalinone.
... Accordingly, it can be noticed that R p values determined by the calculation of Stern-Geary coefficient are very close to those assessed by EIS measurements (Section 3.2), thus reflecting the consistency of the results obtained by both electrochemical methods. Using equation (8), the corrosion inhibition effectiveness (IE PDP %) was calculated from corrosion current densities (i corr ) [35,52] : ...
A Benzodiazepine derivative, namely 4-methyl-1,2-dihydro-3H-benzo[b] [1,4] diazepin-3-one (MHBZO), was used to test the corrosion inhibition of carbon steel in 1 M HCl. Electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), weight loss (WL). Scanning Electron Microscopy (SEM) was applied to examine the surface of carbon steel after corrosion tests. The benzodiazepine derivative's inhibition efficiency increased with concentration, reaching an optimal value of 90.22% with 10⁻³ M of MHBZO. Polarization measurements revealed that the compound acts as a mixed inhibitor, and its adsorption mechanism was consistent with the Langmuir isotherm. Besides that, the ΔGoads finding implies that the benzodiazepine derivative contributed to the chemical adsorption onto the carbon steel surface. The inhibitor was well adsorbed on the carbon steel surface, as evidenced by SEM images. Density Functinal Theory (DFT) and Monte Carlo simulations (MCs) were utilized to investigate and interpret computational approaches of the metal-inhibitor interaction type. The experimental and theoretical findings in this investigation are in good correlation.
... • ads of the two tested inhibitors is a reflection of the spontaneity and the stability of their adsorption on the steel surface. According to the literature [68,69], the nature of adsorption is related to the standard Gibbs free energy value; if ΔG 0 ads values are around − 20 kJ mol − 1 or less negative, the adsorption is a physisorption process through electrostatic interactions between the charged atoms on the inhibitors and the metallic surface. The second type is called chemisorption, where a transfer of electron pairs occurs from the inhibiting molecules to the empty steel orbitals. ...
Corrosion inhibitors are an effective and low-cost option to relieve strong acid-induced corrosion during acidizing oil wells. In this work, a computational study was conducted to assess the interaction of newly synthesized eco-friendly compounds namely, (R, E)-N'-(4-(dimethylamino)benzylidene)-2-(4-isobutylphenyl) propanehydrazide (DBIP) and (R,E)-2-(4-isobutylphenyl)-N'-(4-nitrobenzylidene) propanehydrazide (INBP) with the steel surface. Theoretical prediction of compounds’ affinity to the steel surface and interaction mechanisms were elucidated at the molecular level using first-principles density-functional tight-binding (DFTB), quantum chemical descriptors (QCDs), Fukui functions (FFs) and molecular dynamics (MD) simulations. Then, the corrosion inhibition performance of selected compounds for N80 steel in 15 wt.% HCl solution was investigated using weight loss (WL), electrochemical impedance spectroscopy (EIS), potentiodynamic polarization curves (PPCs) methods, and field emission scanning electron microscopy (FESEM). A theoretical investigation by DFTB modeling and Partial Density of States (PDOSs) showed the formation of several covalent bonds between inhibitor molecules and Fe(110) surface. Experimental studies revealed an increased inhibition efficiency of both inhibitors DBIP and INBP with increasing concentrations reaching a higher efficiency of 99% at 5×10⁻³ mol/L of DBIP. The PPCs data confirmed the mixed-type nature of inhibition. The adsorption obeyed the Langmuir isotherm model, following a mixed physical and chemical interaction mode. The surface morphology analysis by FESEM showed a protected N80 steel surface in the presence of inhibitors compared to its highly corroded surface in blank solutions. The present results open an interesting approach for developing a highly efficient corrosion inhibitor formulation for oil well acidizing based on low-cost computational prediction.
The study aims to synthesize two green pyrazole compounds, N-((1H-pyrazol-1-yl)methyl)-4-nitroaniline (L4) and ethyl 5-methyl-1-(((4-nitrophenyl)amino)methyl)-1H-pyrazole-3-carboxylate (L6), and test their action as corrosion inhibitors for carbon steel (CS) in a 1 M HCl solution. Both chemical and electrochemical methods, namely, gravimetric measurements (WL), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS), were used to assess the efficiency of the investigated molecules. DFT calculations at B3LYP/6-31++G (d, p) and molecular dynamics simulation were used to carry out quantum chemical calculations in order to link their electronic characteristics with the findings of experiments. The organic products exhibited good anticorrosion ability, with maximum inhibition efficiencies (IE %) of 91.8 and 90.8% for 10–3 M L6 and L4, respectively. In accordance with PDP outcomes, L6 and L4 inhibitors act as mixed-type inhibitors. Assessment of the temperature influence evinces that both L4 and L6 are chemisorbed on CS. The adsorption of L4 and L6 on CS appears to follow the Langmuir isotherm. Scanning electron microscopy and UV–visible disclose the constitution of a barrier layer, limiting the accessibility of corrosive species to the CS surface. Theoretical studies were performed to support the results derived from experimental techniques (WL, PDP, and EIS).
