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In the present work, Verbena Officinalis (VO) leaf extract was used as potential corrosion inhibitor for the corrosion of carbon steel (CS) in 0.5 M H2SO4 medium. Further, the corrosion inhibiting nature of VO leaf extract towards the CS was evaluated using mass loss (ML), potentiodynamic polarization (PDP), electrical impedance spectroscopy (EIS) and surface morphological analyses using atomic force microscope (AFM) and X-ray photoelectron spectroscopy (XPS) techniques. Calculation of activation energy E a ∗ using Arrhenius equation shows the increase in activation energy when adding the VO leaf extract in 0.5 M H2SO4 medium and the maximum activation energy ( E a ∗ = 49.9 kJ mol-1) was observed for 1000 mg L-1 VO leaf extract in acid medium. The negative free energy values suggested the spontaneous and the stability of the adsorbed layer of VO leaf extract on the CS surface. Using EIS measurements, high percent inhibitory effectiveness of 91.1% for 1000 ppm solutions was achieved. With an increase in VO leaf extract dose, the double layer capacitance (Cdl) values fall while the values of charge transfer (Rct) increase. This showed that a protective layer of VO leaf extract on CS surface was formed. The polarization curves showed that the VO leaf extract acts as a mixed-type inhibitor. It is discovered that the adsorption of VO leaf extract molecules adhering to the CS surface followed the Langmuir isotherm. The anti-corrosion action of VO leaf extract is fully demonstrated by some surface techniques.
Asunto(s)
Extractos Vegetales , Hojas de la Planta , Acero , Verbena , Extractos Vegetales/química , Extractos Vegetales/farmacología , Hojas de la Planta/química , Acero/química , Corrosión , Verbena/química , Microscopía de Fuerza Atómica , Espectroscopía de Fotoelectrones , Carbono/química , Concentración de Iones de Hidrógeno , Propiedades de Superficie , Espectroscopía DieléctricaRESUMEN
Expression of concern for 'Experimental and surface morphological studies of corrosion inhibition on carbon steel in HCl solution using some new hydrazide derivatives' by Abd El-Aziz S. Fouda et al., RSC Adv., 2021, 11, 13497-13512, https://doi.org/10.1039/d1ra01405f.
RESUMEN
Expression of concern for 'Effectiveness of some novel heterocyclic compounds as corrosion inhibitors for carbon steel in 1 M HCl using practical and theoretical methods' by Abd El-Aziz S. Fouda et al., RSC Adv., 2021, 11, 19294-19309, https://doi.org/10.1039/D1RA03083C.
RESUMEN
Aluminum corrosion inhibitors "{[CuI (CN)2(phen) CuII (CN)2(phen)]5H2O},(MOF1) and {[CuI(CN)2(phen)CuII(CN)2(phen)]5H2O}@TiO2 (MOF1@TiO2) were studied in one molar HCl solution". The ML results for three different temperatures (25-45 °C) were compared with the results of PDP and EIS analyses. The adsorption of inhibitors on Al surfaces has been calculated and discussed by a Langmuir isotherm. The inhibitors that were created showed great effectiveness, with a noticeable increase in their inhibitory efficiency as the dosage was raised and the temperature was lowered. Inhibition efficiency each amounted to 88.6%, 84.5% at 400 ppm and 25 °C for MOF1@TiO2 and MOF1, respectively. Analyzing the polarization curves of synthesized inhibitors revealed that they were mixed-type inhibitors. Al was found to be surface inhibited when coated with a thin film of inhibitors, and "Al's surface morphology was assessed by different techniques such as scanning electron microscopy (SEM), energy dispersive X-ray (EDX) and atomic force microscope (AFM)". "Theoretical models like quantum chemical and molecular dynamics simulation authenticated the experimental observation". The MOFs exhibit exceptional corrosion resistance against Al when exposed to acidic environments, according to several tests.
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A novel series of polymeric ionic liquids (ILs) based on benzimidazolium chloride derivatives, namely, 1,3-diheptyl-2-(2-phenyl-propyl)-3H-benzimidazol-1-ium chloride (IL1), 1,3-dioctyl-2-(2-phenyl-propyl)-3H-benzimidazol-1-ium chloride (IL2), and 1,3-Bis-decyl-2-(2-phenyl-propyl)-3H-benzoimidazol-1-ium chloride (IL3), were synthesized and chemically elucidated by Fourier transform infrared spectroscopy, 1H NMR, 13C NMR, and elemental analysis. Their influence as corrosion suppressors were investigated for C-steel corrosion in 1 M HCl, by weight loss (WL), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) methods, revealing that their exclusive addition decreased corrosion with mounting concentrations. These assays demonstrated that novel ILs are efficient inhibitors at relatively low dosages. The efficacy of the synthesized ILs reached 79.7, 92.2 and 96.9%, respectively, at 250 ppm and 303 K. Parameters for activation and adsorption were calculated and are discussed. The Tafel polarization results demonstrated that the investigated ILs support the suppression of both cathodic and anodic reactions, acting as mixed type inhibitors. Langmuir's adsorption isotherm was confirmed as the best fitted isotherm, describing the physical-chemical adsorption capability of used ILs on the C-steel surface with the change in the free energy of adsorption, ΔG°ads = 32.6-37.2 kJ mol-1. The efficacy of the synthesized ILs was improved by increasing the doses, and the temperature reached 86.6, 96.1, and 98.4%, respectively, at 318 K. Surface morphology was proved by Fourier Transform Infrared spectroscopy, X-ray photoelectron spectroscopy, and atomic force microscopy (AFM), and then, changes in test solutions were checked by Ultraviolet-visible spectroscopy. Theoretical modeling (density functional theory and Monte Carlo) revealed the correlation between the IL's molecular chemical structure and its anticorrosive property.
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The emergence of pest resistance of Spodoptera littoralis (order; Lepidoptera, family; Noctuidae) towards the large scale of different classes of insecticides necessitates the development of some new poly-functionalized biphenyl and azabiphenyl with highly anticipated insecticidal bioresponse. Four new biphenyl carboxamidines 4a-d and four aza-analogue picolinamidine derivatives 8a-d were designed and prepared via the treatment of their corresponding carbonitriles with lithium-bis trimethylsilylamide [LiN(TMS)2], followed by hydrolysis with hydrogen chloride. Furthermore, these compounds were elucidated by spectral data, and their toxicity and insecticidal activity were screened against Spodoptera littoralis. Whereby, toxicological and biochemical aspects of the inventively synthesized biphenyl and azabiphenyl derivatives against the cotton leafworm, Spodoptera littoralis were inspected. As regards the indomitable LC50 and LC90 values, biphenyl and aza-analogues 8d, 8a, 4b, and 8b, revealed the furthermost forceful toxic effects with LC50 values of 113.860, 146.265, 216.624, and 289.879 ppm, respectively. Whereby, their LC90 values are 1235.108, 1679.044, 2656.296, and 3381.256 ppm, respectively, and toxicity index being 22.31%, 17.36%, 11.72%, and 8.76%, respectively, comparing with the already recommended, methomyl insecticide, lannate 90% SP (LC50, 25.396 and LC90, 57.860 and toxicity index, 100%). Additionally, electrochemical parameters via DFT studies were carried out for demonstrating and elucidation of structure-activity relationship (SAR) according to highly motived compounds, descriptors, and the in vivo insecticidal activities.
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A quaternary ammonium salt, 1,1'-(1,4-phenylenebis(methylene))bis(4-formylpyridin-1-ium) (PMBF), was synthesized, characterized, and investigated as an inhibitor for C1018 (type steel in oil wells) corrosion in 17.5% HCl solution. The chemical structure of PMBF was confirmed using altered techniques. Potentiodynamic polarization (PDP) was employed to investigate the corrosion inhibition effect of the synthesized compound in a 17.5% HCl solution for C1018. The corrosion protection was increased by improving the dose of the synthesized compound and reached 98.5% at 42.02 × 10-5 M and 313 K. On the other hand, it was decreased by increasing the temperature and reached 97.9% at the same concentration and 343 K. The parameters of activation and adsorption were calculated and debated. A polarization study revealed that PMBF functioned as a "mixed-kind inhibitor," i.e., affecting both cathodic and anodic processes through their adsorption onto the electrode surface. The adsorption was described by the Langmuir adsorption isotherm. Different techniques were employed as appropriate tools for analyzing the structure of the layer formed on C1018. Density functional theory (DFT) and Monte Carlo (MC) simulations were used to compare the results of the theoretical calculations with the experiments. Finally, an appropriate inhibition mechanism was suggested and discussed.
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This review provides recent developments in the current status and latest synthetic methodologies of biphenyl derivatives. Furthermore, this review investigates detailed discussions of several metalated chemical reactions related to biphenyl scaffolds such as Wurtz-Fittig, Ullmann, Bennett-Turner, Negishi, Kumada, Stille, Suzuki-Miyaura, Friedel-Crafts, cyanation, amination, and various electrophilic substitution reactions supported by their mechanistic pathways. Furthermore, the preconditions required for the existence of axial chirality in biaryl compounds are discussed. Furthermore, atropisomerism as a type of axial chirality in biphenyl molecules is discussed. Additionally, this review covers a wide range of biological and medicinal applications of the synthesized compounds involving patented approaches in the last decade corresponding to investigating the crucial role of the biphenyl structures in APIs.
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The inhibition efficiency and adsorption affinity were investigated for two novel compounds, namely: 6-methoxy-2-naphthyl-[2, 2'-bithiophene]-5-carboxamidine hydrochloride salt (MA-1440) and 5'-(4-chlorophenyl)-2, 2'-bifuran-5-carboxamidine hydrochloride salt (MA-1456). The inhibition study was conducted on carbon steel surface in 1.0 M HCl with different inhibitor doses and different temperature levels, to investigate the optimum dose and preferable temperature. The performed investigation included chemical, electrochemical, instrumental, and quantum computation techniques. A chemical technique was accomplished by using weight-loss measurements. Different factors were studied using weight-loss measurements in order to reach the maximum inhibition efficiency. The adsorption study revealed that the examined inhibitors obey the Langmuir adsorption isotherm and are chemically adsorbed on the steel surface. The electrochemical measurements were accomplished through the electrochemical impedance (EIS) and potentiodynamic polarization (PDP) techniques. Based on the electrochemical measurements, the examined compounds were categorized as mixed inhibitors. The instrumental examination using different techniques namely: scanning electron microscope (SEM), energy dispersive X-ray (EDX), Fourier-transform infrared spectroscopy (FT-IR), and X-ray photoelectron spectroscopy (XPS) confirmed that the considered inhibitors are excellently adsorbed over the carbon steel surface. The extent of the adsorption affinity of these compounds on the carbon steel surface was studied theoretically using quantum computations and Monte Carlo simulation. The theoretical investigation results of quantum chemistry were validated with those obtained by chemical and electrochemical methodologies. All investigations prove that, the tested compounds were adsorbed chemically on the steel surface and achieved maximum inhibition efficiency of, 94.69% and 90.85% for M-1440 and MA-1456, respectively, at the optimum concentration 30 [Formula: see text] 10-6 mol L-1 and temperature 328 K.
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Three novel p-phenylenediamine and benzidine coumarin derivatives were synthetized, namely: 4,4'-((((1,4-phenylenebis(azaneylylidene))bis(ethan-1-yl-1-ylidene))bis(2-oxo-2H-chromene-3,6-diyl))bis(diazene-2,1-diyl))dibenzenesulfonic acid (PhODB), 4,4'-(((-([1,1'-biphenyl]-4,4'-diylbis(azaneylylidene))bis(ethan-1-yl-1-ylidene))bis(2-oxo-2H-chromene-3,6-diyl))bis(diazene-2,1-diyl))dibenzenesulfonic acid (BODB) and 4,4'-(((-((3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis(azaneylylidene))bis(ethan-1-yl-1-ylidene))bis(2-oxo-2H-chromene-3,6-iyl))bis(diazene-2,1-diyl))dibenzenesulfonic acid (DODB). Their chemical structures were proved by performing Fourier-transform infrared spectroscopy, proton nuclear magnetic resonance and mass spectrometry analysis. The synthesized p-phenylenediamine and benzidine coumarin derivatives were tested as corrosion inhibitors for mild steel (MS) in 1 M HCl solution using weight loss, electrochemical, morphological, and theoretical studies. The compound 3,3'-dimethoxy benzidine coumarin derivative (DODB) was proved to give the highest efficiency with 94.98% obtained from weight loss measurements. These compounds are mixed inhibitors, as seen by the polarization curves. Impedance diagrams showed that when the concentration of these derivatives rose, the double-layer capacitance fell and the charge transfer resistance increased. Calculated thermodynamic parameters were computed and the mechanism of adsorption was also studied for the synthesized p-phenylenediamine and benzidine coumarin derivatives. The ability of the synthesized derivatives to protect the surface against corrosion was investigated by scanning electron microscope (SEM), UV-visible spectroscopy and energy dispersive X-ray spectroscopy (EDX). Theoretical chemical calculations (DFT) and biological resistivity (SRB) were investigated.
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Aizoon extract is used as an eco-friendly anti-corrosive material for stainless steel 430 (SS430) in a 2 M hydrochloric acid solution. Many strategies were utilized to estimate the mitigation efficacy such as mass reduction (MR), electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization (PDP). The inhibition percentage (%I) increases by increasing the concentration of Aizoon and reaches 95.8% at 300 ppm and 298 K, while it lowers by raising the temperature, reaching 85.6% at 318 K. Tafel curves demonstrated that Aizoon extract is a mixed type inhibitor with an excellent ability to inhibit the cathodic reaction. Adsorption of the Aizoon extract on an SS430 surface is regulated by the Langmuir adsorption model. The value is is -20.9 kJ mol-1 at 298 K indicating that the adsorption is of mixed type affecting both cathodic and anodic reactions. Thermodynamic factors for adsorption and activation processes were estimated and discussed. The adsorption of Aizoon extract on the SS430 surface was tested utilizing Fourier transform infrared spectroscopy (FTIR) and scanning electron microscope (SEM) techniques. The Nyquist curves confirmed that Aizoon extract prohibits the disintegration of SS430 in an acid medium without changing the dissolution reaction mechanism. The theoretical calculations showed that Aizoon extract is considered as an excellent corrosion inhibitor. The experimental data were supported by theoretical evaluations.
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The inhibiting impact of two ecofriendly 5-arylidene barbituric acid derivatives (5-ABA), namely 5-(3,4-dimethoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (inhibitor I, 3a) and 5-(3,4-dimethoxybenzylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (inhibitor II, 3b), in 1 M HCl on the corrosion of carbon steel has been examined via the weight loss (WL) method, potentiodynamic polarization (PP), electrochemical impedance spectroscopy (EIS), and electrochemical frequency modulation (EFM) tests. In addition, DFT calculations and MC simulations were used to study the relationship between the inhibitor structure and its inhibition performance. The attained outcomes exhibit that the investigated compounds are excellent inhibitors and their inhibition efficiency (%IE) increases with the increase in the concentration and temperature. The adsorption of 5-arylidene barbituric acid on the C-steel surface was found to follow the Langmuir adsorption isotherm. The adsorption process of the investigated compounds is spontaneous and considered as the chemisorption type. The PP curves revealed that 5-arylidene barbituric acid derivatives are mixed-type inhibitors. Moreover, the EIS results confirmed the adsorption of 5-arylidene barbituric acid derivatives on the C-steel surface by increasing the charge transfer resistance (R ct) values. The %IE of the inhibitors (II & I) reached 92.8% and 86.6% at a concentration of 21 × 10-6 M, according to the WL method. The surface analysis of the C-steel surface was confirmed by scanning electron microscopy and energy dispersive X-ray techniques. Finally, the experimental and theoretical results are in good agreement.
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In this work, three different types of surfactants, namely, dodecyl trimethyl ammonium chloride (DTAC, C12H25N (CH3)3Cl)-, octyl phenol poly(ethylene glycol ether) x (TX-100, C34H62O11 for x = 10) and dioctyl sodium sulfosuccinate (AOT-100, C20H37O7NaS) with corrosion restraint were utilized as corrosion inhibitors for 1037 CS in 0.5 M HCl. The protection efficacy (% IE) was indicated by weight loss and electrochemical measurements. Polarization curves showed that the investigated compounds are mixed-type inhibitors. The protection efficacy (% IE) increases with the increase in the surfactant concentration and reached 64.42-86.46% at 8 × 10-4 M and 30 °C. Adsorption of these utilized surfactants (DTAC, TX-100, and AOT) onto the CS surface concurred with the Langmuir adsorption isotherm. Impedance data revealed that by increasing the surfactant concentration, the charge transfer resistance (R ct) increases and vice versa for the capacitance of double layer (C dl). Surface morphological investigations such as scanning electron microscopy (SEM) combined with EDX and atomic force microscopy (AFM) were used to further investigate the inhibitors' protective abilities. Monte Carlo simulations showed the great interaction between the tested surfactants and the metal surface of the CS. The theoretical results (density functional theory, DFT) were in good agreement with experimental measurements. The restraint efficiencies of anionic, neutral, and cationic surfactants regarded a certain dating to HSAB precept and Fukui indices.
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Two azo derivatives, 4-((4-hydroxy-3-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenyl) diazinyl) benzenesulfonic acid (TODB) and 4-((3-((4,4-dimethyl-2,6-dioxocyclohexylidene) methyl)-4-hydroxyphenyl)diazinyl) benzenesulfonic acid (DODB) were synthesized and characterized using Fourier-transform infrared spectroscopy (FTIR), proton nuclear magnetic resonance (1H-NMR) and mass spectral studies. Gravimetric methods, potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), electrochemical frequency modulation (EFM) techniques and inductive coupled plasma-optical emission spectroscopy were used to verify the above two compounds' ability to operate as mild steel (MS) corrosion inhibitors in 1 M HCl. Tafel data suggest that TODB and DODB have mixed-type characteristics, and EIS findings demonstrate that increasing their concentration not only alters the charge transfer (R ct) of mild steel from 6.88 Ω cm2 to 112.9 Ω cm2 but also changes the capacitance of the adsorbed double layer (C dl) from 225.36 to 348.36 µF cm-2. At 7.5 × 10-4 M concentration, the azo derivatives showed the highest corrosion inhibition of 94.9% and 93.6%. The inhibitory molecule adsorption on the metal substrate followed the Langmuir isotherm. The thermodynamic activation functions of the dissolution process were also calculated as a function of inhibitor concentration. UV-vis, scanning electron microscopy (SEM), and energy dispersive X-ray spectroscopy (EDX) techniques were used to confirm the adsorption phenomenon. The quantum chemical parameters, inductively coupled plasma atomic emission spectroscopy (ICPE) measurements, and the anti-bacterial effect of these new derivatives against sulfate-reducing bacteria (SRB) were also investigated. Taken together, the acquired results demonstrate that these compounds can create an appropriate preventing surface and regulate the corrosion rate.
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The present work aims to study 6-amino-4-aryl-2-oxo-1-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile derivatives namely: 6-Amino-2-oxo-1,4-diphenyl-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-H), 6-Amino-2-oxo-1-phenyl-4-(p-tolyl)-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-Me) and 6-Amino-4-(4-hydroxyphenyl)-2-oxo-1-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile (PdC-OH) as corrosion inhibitors to provide protection for carbon steel in a molar hydrochloric acid medium. Chemical measurements such as (weight loss) and electrochemical techniques such as (Potentiodynamic polarization, electrochemical impedance spectroscopy, and Electron frequency modulation) were applied to characterize the inhibitory properties of the synthesized derivatives. The adsorption of these derivatives on the carbon steel surface was confirmed by Attenuated Total Refraction Infrared (ATR-IR), Atomic Force Microscope (AFM), and X-ray Photoelectron Spectroscopy (XPS). Our findings revealed that the tested derivatives have corrosion inhibition power, which increased significantly from 75.7 to 91.67% on the addition of KI (PdC-OH:KI = 1:1) to inhibited test solution with PdC-OH derivative at 25 °C. The adsorption process on the metal surface follows the Langmuir adsorption model. XPS analysis showed that the inhibitor layer consists of an iron oxide/hydroxide mixture in which the inhibitor molecules are incorporated. Computational chemical theories such as DFT calculations and Mont Carlo simulation have been performed to correlate the molecular properties of the investigated inhibitors with experimental efficiency. The theoretical speculation by Dmol3 corroborates with the results from the experimental findings.
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The effects of [Co2 (SCN) 4(hmt)2(H2O)6. H2O] (SC1) and [Co (CN)6 (Me3Sn)3(H2O). (qox)] (SCP2) MOF as corrosion inhibitors on C-steel in 0.5 M sulfuric acid solutions are illustrated utilizing mass reduction (MR), electrochemical [potentiodynamic polarization (PP), and AC electrochemical impedance (EIS)]. The experiments revealed that as the dose of these compounds rose, the inhibition efficacy (IE percent) of C-steel corrosion improved, reaching 80.7-93.1% at dose 25 × 10-6 M for SC1 and SCP2, respectively. IE percent, on the other hand, dropped as the temperature range grew. SC1was adsorbed physically and chemically (mixed adsorption) but SCP2 was adsorbed physically on the surface of C-steel and conformed to the Langmuir adsorption isotherm equation. The PP studies revealed that these compounds act as mixed kind inhibitors. To establish the morphology of the inhibited C-steel surface, scanning electron microscopy (SEM), energy transmitted X-ray (EDX), and atomic force microscopy (AFM) studies were used. All tested experiments were in good agreement.
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Corrosion of carbon steel is a major problem that destroys assists of industries and world steel installations; the importance of this work is to introduce new heterocyclic compounds as effective and low-cost corrosion inhibitors. Three compounds of carbohydrazide derivatives, namely: 5-amino-N'-((2-methoxynaphthalen-1-yl)methylene)isoxazole-4-carbohydrazide (H4), 2,4-diamino-N'-((2-methoxy-naphthalene-1-yl)methylene) pyrimidine-5-carbohydrazide (H5) and N'-((2-methoxynaphthalen-1-yl)methylene)-7,7-dimethyl-2,5-dioxo-4a,5,6,7,8,8a-hexahydro-2H-chromene-3-carbohydrazide (H6) were used to examine the efficacy of corrosion of carbon steel in 1 M hydrochloric acid solution. This corrosion efficacy was detected by utilizing various methods including electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), weight loss measurements (WL), surface morphology analyses by atomic force microscopy (AFM), quantum chemical computations based on density functional theory (DFT) and molecular dynamics (MD) simulation. The results indicated that these compounds act as mixed type inhibitors i.e. reduce the corrosion rate of carbon steel due to the formation of a stable protective film on the metal surface and reduce the cathodic hydrogen evolution reaction. As confirmed from impedance, carbohydrazide derivatives molecules are adsorbed physically on metal surface with higher corrosion efficacy reached to (81.5-95.2%) at 20 × 10-6 M concentration at room temperature. Temkin isotherm model is the most acceptable one to describe the carbohydrazide derivative molecules adsorption on the surface of carbon steel. Protection mechanism was supported by quantum chemical analyses and Monte Carlo modeling techniques. The theoretical calculations support the experimental results obtained. This proves the use of carbohydrazide derivatives as a very effective inhibitors against the corrosion of carbon steel in acidic media.
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This study targets the investigation of three pyrimidine-bichalcophene derivatives (MA-1230, MA-1231, MA-1232) for the prevention of corrosion on copper in 1 M HNO3 via weight loss (WL), potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) techniques. The surface morphology was also analyzed by different methods. It was found that the inhibition efficiency (% η) increased by increasing the doses of pyrimidine derivatives and the temperature of the medium. Weight loss data revealed the better adsorption of MA-1232 on the Cu surface at increased inhibitor dose, reaching a maximum efficiency of 99.14% at a dose of 21 µM at 45 °C. The best description of the adsorption of the investigated derivatives on the copper surface was given by the Langmuir isotherm. Some important thermodynamic parameters for the studied inhibitors were computed and are discussed herein. The polarization studies showed that the pyrimidine-bichalcophenes act as mixed inhibitors. Computational chemical approaches were used with informative yields, including quantum-chemical and molecular dynamics simulation techniques, which agree with the experimental results. The results obtained from all tested methods are strongly accepted.
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The corrosion inhibition of C-steel in 1 M HCl was assessed using three newly synthesized hydrazide derivatives (H1, H2 and H3) using weight loss (WL), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) techniques. Also, the adsorption of these compounds was confirmed using several techniques such as atomic force microscopy (AFM), Fourier-transform infrared spectroscopy (FTIR) and X-ray photoelectron spectroscopy (XPS). High inhibition efficiencies were obtained resulting from the constitution of the protective layer on the C-steel surface, which increased with increasing concentration and temperature and reached 91.7 to 96.5% as obtained from the chemical method at 20 × 10-6 M at 45 °C. The polarization curves refer to these derivatives belonging to mixed-type inhibitors. The adsorption of (H1, H2 and H3)on the CS surface follows the Temkin adsorption isotherm. Inhibition influence of hydrazide derivatives at the molecular level was greatly proven using quantum chemical calculations and Monte Carlo simulation methods. Furthermore, the molecular simulation results evidenced the adsorption of these derivatives on the carbon steel surface.