Experimental and computational chemical studies on the corrosion inhibitive properties of metamizole sodium pharmaceutical drug compound for CS in hydrochloric acid solutions

The effect of sodium metamizole as a corrosion inhibitor for carbon steel (CS) in 1 M hydrochloric acid at various concentrations was studied by using chemical (weight loss, WL) and electrochemical [electrochemical frequency modulation (EFM), electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP)] methods. The results of WL showed that the effectiveness of sodium metamizole as a CS preservative in a hydrochloric acid solution at room temperature raised by improvement of the concentration of the inhibitor and reached 82.87% at 300 ppm and 25 °C. The effect of temperature on the CS was studied and the thermodynamic parameters of activation and adsorption were computed and discussed. The results showed that the inhibition efficiency (IE) decreases with increasing temperature, suggestive of physisorption. This was collaborated by values of activation energy, which are all below 80 kJ mol^?1 and free energy which are below 20 kJ mol^?1. The adsorption mechanism was coherent with Langmuir adsorption model. Results of the PDP revealed that the inhibitor was adsorbed on CS surface by mixed type of behavior. Furthermore, EIS revealed the dip in the values of double-layer capacitance and improvement in the charge transfer resistance with increased dose of sodium metamizole. Surface examinations were performed using altered techniques. The theoretical studies were calculated to confirm the validity of the practical results and the results of both were compared with each other, demonstrating the validity of the results obtained.     

Cupressus arizonica fruit essential oil: A novel green inhibitor for acid corrosion of carbon steel

Natural-based corrosion inhibitors have gained great research interest thanks to their low cost and higher performance. The Cupressus arizonica fruit essential oil (CAFEO) has a higher extraction yield than leaves; however, it has less antibacterial and antifungal activities. The three main components in the CAFEO were α-pinene (51.07%), myrcene (17.92%), and limonene (9.66%). Essential oils with a higher percentage of α-pinene were found to have outstanding corrosion inhibition properties. Therefore, herein, the CAFEO was investigated as a green corrosion inhibitor for carbon steel (CS) in 1.0 mol/L HCl using electrochemical, i.e., potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS), and scanning electron microscope (SEM) techniques. The experimental results revealed that CAFEO successfully inhibited the carbon steel corrosion in 1.0 mol/L HCl solution. Results from PDP indicated that the inhibitor had a mixed-type effect with a predominance cathodic character. EIS data showed that the charge transfer resistance of the CS electrode increased from 20.9 Ω cm² in blank solution to 294.5 Ω cm² in HCl solution inhibited with 0.5 g/L of CAFEO at 298 K, leading to a significant decrease in the double layer capacitance values and an inhibition efficiency (η%) of 93%. The high temperatures showed a negative effect on the corrosion inhibition efficiency of the tested inhibitor. At 323 K, the η% of CAFEO decreased to 77%. Besides, SEM images showed that the inhibitor formed a protective barrier against acid attack, preventing carbon steel from corrosion. Theoretical calculations by Density Functional Theory (DFT) were performed to investigate the reactivity of the three main components of CAFEO.     

Experimental,DFT studies and molecular dynamic simulation on the corrosion inhibition of carbon steel in 1 M HCl by two newly synthesized 8-hydroxyquinoline derivatives

In the present work, two new 8-hydroxyquinoline derivatives namely, 5-(((2-hydroxybenzylidene)amino)methyl) 8-hydroxyquinoline [HBMQ] and 5-(((4-chlorobenzylidene)amino)methyl) 8-hydroxyquinoline [CBMQ] were synthesized and investigated as corrosion inhibitors against the dissolution of carbon steel (C38 steel) in 1 M HCl. These compounds were obtained with high yield, and their structures were characterized by nuclear magnetic resonance spectroscopy (NMR) and elemental analysis. Gravimetric, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), and surface morphology analyses utilizing scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS) were used to quantify inhibitory performance. The adsorption process of inhibitory compounds was then demonstrated using quantum mechanics approaches such as Density Functional Theory (DFT) and Molecular Dynamic Simulation (MD). Based on EIS results, the investigated derivatives effectively inhibit the degradation of C38 steel over the entire concentration range with a maximum efficiency of 91.9% and 88.0% for [CBMQ] and [HBMQ], respectively, at 10^?3 M. In addition, the PDP studies revealed that [HBMQ] and [CBMQ] compounds acted according to a mixed-type mechanism. Moreover, the adsorption mechanism follows the Langmuir isotherm model. The quantum theoretical study by DFT and MD simulation confirmed the experimental results.     

Gravimetric,electrochemical, and morphological studies of an isoxazole derivative as corrosion inhibitor for mild steel in 1M HCl

In present study, an isoxazole derivative, namely, (Z)-4-(4-hydroxy-3-methoxybenzylidene)-3-methylisoxazol-5(4H)-one referred here as (IOD) has been studied as an environment-friendly corrosion inhibitor for mild steel (MS) in acidic medium (1 M HCl). The present work was investigated by gravimetric, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), fourier-transform infrared (FT-IR) spectroscopy techniques. Atomic force microscopy (AFM), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS) confirmed the surface morphologies of the MS surface with and without IOD in the acid medium. The inhibition efficiency (I.E.) of IOD was increased by rising its concentration attaining maximum value (96.6%) at 300 ppm at 30 °C and decreases with increasing temperature from 30 °C to 60 °C. The adsorption of studied inhibitor followed Langmuir adsorption isotherm model. The PDP study revealed that the IOD acts as a mixed-type inhibitor with predominating anodic effect. The EIS study confirmed that increasing IOD concentration enhances the charge transfer resistance (R_ct) and then reduces the double layer capacitance (C_dl) owing to the development of a protective layer on the MS surface.     

Electrochemical and computational studies of an expired vilazodone Drug as environmentally safe corrosion inhibitor for aluminum in chloride medium

Through using chemical and electrochemical methods, the theoretical and experimental investigation of the expired vilazodone drug's ability to prevent corrosion on aluminium (Al) in a corrosive medium of HCl (1 M) has been examined. Weighing tests (WL), electrochemical (impedance spectroscopy (EIS), potentiodynamic polarization (PDP)), atomic force microscopy (AFM), scanning electron microscope (SEM), and Fourier transform infrared spectroscopy (FTIR) tests at 25 °C have all been used to investigate Vilazodone's capability to prevent corrosion of Al in 1 M HCl in the concentration in the range of 25–150 ppm. The corrosion inhibition effect of the investigate Vilazodone's against Al in acid environment was investigated weight loss and electrochemical methods. The highest % inhibition efficiency (%IE) was 95% resulted from weight loss technique at the highest concentration for inhibitor. According to the PDP data, this examined vilazodone function as a mixed-type inhibitor, impacting both the anodic and cathodic reactions. The inhibitors covered the active points of the metal surface, according to electrochemical impedance spectroscopy (EIS), to prevent corrosion. It was discovered that the inhibitor adsorption on the Al surface obeyed the Langmuir adsorption isothermal model. AFM, SEM, and FTIR surface examinations proved the inhibitor had a significant protective effect against Al dissolution in 1 M HCl. The outcomes from chemical and electrochemical methods are relatively consistent. Vilazodone acted as an effective corrosion inhibitor, according to all of the experimental data.     

Rosmarinus officinalis extract as eco-friendly corrosion inhibitor for copper in 1 M nitric acid solution: Experimental and theoretical studies

Rosmarinus officinalis extract (ROE) was studied chemically (mass loss, ML), electrochemically impedance spectrometry (EIS), and potentiodynamic polarization (PDP) as a corrosion inhibitor in 1 M nitric acid. According to ML, ROE is effective like a copper preservative in 1 M HNO₃ acid solution at R.T by improving inhibitor concentration up to 77 % at 300 ppm and 25 °C. A study was conducted regarding the effect of temperature on copper adsorption, as well as the calculation of adsorption coefficients. Results indicated that physisorption increases with temperature, indicating a decrease in inhibition efficiency (%IE). Langmuir's adsorption model was consistent with the adsorption mechanism. Using the PDP method, the inhibitor accumulated on the copper surface in mixed forms. Moreover, EIS revealed that the value of double-layer capacitance dropped with an increased dose of ROE, while the charge transfer resistance improved. A different approach was taken to the examination of surfaces. Both theoretical studies and practical results were calculated and compared to demonstrate that the results were valid.     

A combined computational & electrochemical exploration of the Ammi visnaga L. extract as a green corrosion inhibitor for carbon steel in HCl solution

Natural-based corrosion inhibitors have gained great research interest thanks to their low cost and higher performance. In this work, the chemical composition of the methanolic extract of Ammi visnaga umbels (AVU) was evaluated by gas chromatography (GC) coupled with mass spectrometry (MS) and applied for corrosion inhibition of carbon steel (CS) in 1.0 mol/L HCl using chemical and electrochemical techniques along with scanning electron microscope (SEM) and theoretical calculations. A total of 46 compounds were identified, representing 89.89% of the overall chemical composition of AVU extract, including Edulisin III (72.88%), Binapacryl (4.32%), Khellin (1.97%), and Visnagin (1.65%). Chemical (Weight loss) and electrochemical (potentiodynamic polarization curves (PPC), and electrochemical impedance spectroscopy (EIS)) techniques revealed that investigated extract can be used as an effective corrosion inhibitor for carbon steel in 1.0 mol/L HCl solution. At a low dose of 700 ppm, the inhibitory action of AVU extract reached an inhibition efficiency of 84 percent. According to polarization tests, the investigated extract worked as a mixed inhibitor, protecting cathodic and anodic corrosion reactions. The EIS test showed that upon the addition of AVU extract to HCl solution, the polarization resistance increased while the double layer decreased. SEM images showed a protected CS surface in the inhibited solution. Quantum chemical calculations by Density Functional Theory (DFT) for the main components confirmed the major role of heteroatoms and aromatic rings as adsorption sites. Molecular dynamics (MD) simulation was used to study the adsorption configuration of the main components on the Fe(1 1 0) surface. Outcomes from this study further confirmed the significant advantage of using plant-based corrosion inhibitors for protecting metals and alloys.     

Corrosion inhibition of mild steel by highly stable polydentate schiff base derived from 1,3- propanediamine in aqueous acidic solution

Recently, the hydrolysis of Schiff bases under experimental conditions gives suspicion for their corrosion inhibition performance. The current study employs a stable Schiff base namely, 2,2′-{propane-1,3-diylbis[azanylylidene (E) methanylylidene]}bis(6-methoxyphenol) (LPD) as corrosion inhibitor for mild steel (MS) in 1 M HCl solution. The presence of the characteristic peak of the imine group in UV-visible spectra was taken as an indicator for LPD stability in acidic media. The inhibition action was examined using electrochemical techniques including potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) besides gravimetric measurement. The inhibition efficiency reached 95.93 % for 0.75 mM LPD after 24 h of immersion at 25 °C. This high efficiency is owing to the presence of the characteristic imine group and other heteroatoms and π- electrons of the aromatic benzene rings. The mechanism of inhibition depends on adsorption phenomena on mild steel surface which obeys Langmuir isotherm model. The calculated values of adsorption equilibrium constant (K_ads), adsorption free energy ΔG_ads, adsorption enthalpy ΔH_ads and adsorption entropy ΔS_ads indicated spontaneous exothermic adsorption process of both physical and chemical nature. By rising temperature, the inhibition efficiency of LPD was decreased. The calculated activation energy was increased as the concentration of LPD increased. LPD was considered as a mixed-type inhibitor as indicated from PDP measurements. The obtained surface morphology and composition analysis using SEM/EDS, AFM and FTIR techniques ensures the high efficiency of LPD as corrosion inhibitor.     

Ficus carica extract as environmentally friendly inhibitor for the corrosion of L-80 carbon steel in 0.5 ​M ​H2SO4 media

We reported here, the corrosion inhibition of carbon steel (CS) in H₂SO₄ media by Ficus carica leaves extract as green sustainable inhibitor. This study was investigated using mass loss method (ML), potentiodynamic polarization (PDP), electrochemical frequency modulation (EFM) and electrochemical impedance spectroscopy (EIS). As well as the metal surface morphology was analyzed by Atomic Force Microscopy (AFM). In addition, the chemical characterization of green inhibitor is carried out by Fourier Transform Infrared (FTIR). EIS revealed that the Ficus carica extract formed a thin protective film on the metal surface and by using of 300 ​ppm of extract of Ficus carica allow reaches (92.7%) of corrosion inhibition efficiency (CIE). The PDP curves revealed that the Ficus carica extract act as a mixed-type inhibitor. It was demonstrated that %IE enhanced with rising the Ficus carica extract doses also increased with arises in temperature (95.7%). Kinetic parameters and thermodynamic adsorption of the system have also been measured and studied. The data obtained revealed that the adsorption of Ficus carica on metal surface followed the Temkin isotherm and according to the activation energy (Ea1) the Ficus carica extract acts by chemisorption process. The results from unlike measurements were in a well accord.     

Surface interaction and corrosion inhibition of carbon steel in sulfuric acid using Petroselinum crispum extract

With the aid of the mass loss (ML) method, and a few electrochemical techniques [potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS)], the inhibitory impact of Petroselinum crispum (PC) extract on C-steel corrosion in solutions of 1 M sulfuric acid was assessed. By employing Fourier-transform infrared spectroscopy (FT-IR) and X-ray photoelectron spectroscopy (XPS) techniques, the C-steel surface morphology was investigated. The data showed that the solution of plant extract can be effectively utilized to inhibit C-steel corrosion in solutions of 1 M sulfuric acid. The effectiveness of the extract was enhanced by the higher extract dose and rising temperature. The apparent activation energy and the enthalpy of the dissolution process were determined and discussed. The presence of PC decreases the double-layer capacity from 493.1 to 107.3 μF cm⁻² and raises the charge transfer resistance in a solution of 1 M sulfuric acid from 43.39 to 287.7 Ω cm². PC is a mixed-type inhibitor, as demonstrated by PDP tests. The PC extract demonstrated the highest productivity for the C-steel protection up to 90.2% at 300 ppm from the extract, according with the PDP technique. The attained data indicated that PC extract was adsorbed chemically (ΔG^o_ads > 40 kJ mol⁻¹) onto the surface of the C-steel following the Temkin isotherm. The results of numerous tests appear to agree.     

Corrosion inhibition of mild steel in hydrochloric acid by betanin as a green inhibitor

The effect of betanin (2,6-pyridinedicarboxylic acid, 4-(2-(2-carboxy-5-(beta-D-glucopyr-anosyloxy)-2,3-dihydro-6-hydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-(S-(R*,R*))) on the corrosion inhibition of mild steel has been investigated in 1 M HCl solution. Weight loss method, potentiodynamic polarization, and electrochemical impedance spectroscopy techniques were applied to study the mild steel corrosion behavior in the absence and presence of different concentrations of betanin under the influence of various experimental conditions. The results obtained showed that betanin is a good “green” inhibitor for mild steel in 1 M HCl solution. Scanning electron microscopy observations of the steel surface confirmed the protective role of the inhibitor. The polarization curves showed that betanin behaves mainly as a mixed-type inhibitor. Maximum inhibition efficiency (98%) is obtained at betanin concentrations of 0.01 M. The results obtained from weight loss, polarization, and impedance measurements are in good agreement.     

Experimental and theoretical approach for novel imidazolium ionic liquids as Smart Corrosion inhibitors for mild steel in 1.0 M hydrochloric acid

3-(4-hydroxybutyl)-1-phenethyl-1H-imidazol-3-ium chloride ([HB-Imid] Cl), and 3-(2-chlorobenzyl)-1-phenethyl-1H-imidazol-3-ium chloride ([CB-Imid] Cl) were investigated as corrosion inhibitors for mild steel in 1.0 M hydrochloric acid solution. Electrochemical techniques (PDP and EIS) were performed as experimental studies while DFT at B3LYP 6-311G (df,pd), and molecular dynamic simulation were used as theoretical approach. PDP experiments revealed that the studied ionic liquids (ILs) behaved as mixture type inhibitors. EIS results indicated that these compounds showed good inhibition performance with inhibition efficiency around 95% at the optimum concentration of 1.0 × 10^?3 M. According to Langmuir isotherm model and the thermodynamic parameters, these ILs were adsorbed onto the mild steel surface through physical and chemical bonds. SEM and EDX examinations proved the formation of a protective layer of adsorbed inhibitors at the steel surface. The DFT/B3LYP/6-311G(df,pd) computations in both the gas and water environments disclosed that [HB-Imid] Cl molecule was softer and had a lower energy gap, electrodonating power, and polarizability indexes.     

O,O'-(2-甲基-2,4-亚戊基)二硫代磷酸-N,N-二乙铵的合成、表征及缓蚀性能评价

合成了O,O'-(2-甲基-2,4-亚戊基)二硫代磷酸-N,N-二乙铵(PDP),用元素分析、红外光谱、核磁共振谱和X射线单晶衍射等技术手段对其结构进行了表征。PDP属四方晶系,I-4空间群,其晶胞参数为:a=2.1357(3)nm,b=2.1357(3)nm,c=0.71892(11)nm,α=β=γ=90°,V=3.2791(8)nm3,Z=8,Dc=1.156 g/cm3,F(000)=1232,μ(Mo Kα)=0.412 mm-1,F(000)=1232,S=0.952,R=0.0664,wR=0.1791[I2σ(I)]。PDP通过NH幆S和CH幆S氢键作用形成了一维超分子孔道结构。PDP在HCl溶液中对Q235钢的缓蚀性研究表明:PDP能有效抑制Q235钢的腐蚀,是阴极为主的混合型缓蚀剂,在Q235钢表面的吸附符合Langmuir吸附,属自发进行的物理化学吸附;在25℃的1.0 mol/L HCl溶液中PDP浓度为140 mg/L时的缓蚀率达到98.9%。CCDC:1404464。     

Adsorption and inhibition performance of the novel cationic Gemini surfactant as a safe corrosion inhibitor for carbon steel in hydrochloric acid

The new synthesized cationic Gemini surfactant (CGS) was tested as a corrosion inhibitor for carbon steel (CS) in 1.0?M hydrochloric acid using weight loss, electrochemical spectroscopy and potentiodynamic polarization. The inhibition efficiency is increased by increasing the CGS concentration and is almost constant within the temperature range studied. The inhibition was explained by adsorption of the CGS molecule on the CS surface. A mixed-type inhibitor is suggested for the inhibitory effects of CGS as revealed by the potentiodynamic polarization technique. The changes in impedance parameters suggested that the adsorption of the inhibitor on the CGS surface led to the formation of protective films. The adsorption of the CGS on the surface of CS obeys Langmuir adsorption isotherm. Thermodynamic and kinetic parameters were calculated and discussed.     

Inhibiting effects of 2-mercapto-1-methylimidazole on copper corrosion in 0.5 M sulfuric acid

The inhibiting efficiency of 2-mercapto-1-methylimidazole (MMI) on copper corrosion in sulfuric acid was investigated at 30 °C. Its effectiveness was assessed through electrochemical impedance spectroscopy, potentiodynamic polarization and gravimetric measurements. The results of study reveal that the inhibition efficiency of MMI depends on its concentration and attains approximately 81% at 10^?4 M. The inhibitor was adsorbed on the copper surface according the Langmuir adsorption isotherm model. The value of standard free energy of adsorption was calculated from this isotherm.     

Argan hulls extract: green inhibitor of mild steel corrosion in 1?M HCl solution

Argan hulls extract (AHE) was tested as corrosion inhibitor for mild steel in 1?M HCl. Weight loss measurements, potentiodynamic polarization, and electrochemical impedance spectroscopy (EIS) revealed that inhibiting action increased with increasing concentration of the inhibitor. The highest efficiency 97.3% was obtained at 5?g/L AHE. There was good agreement between gravimetric and electrochemical methods (potentiodynamic polarization and EIS). Results obtained from EIS measurements were analyzed to model the corrosion-inhibition process by use of the appropriate equivalent circuit model; a constant phase element was used. Polarization measurements show also that AHE acts as good mixed inhibitor. AHE is adsorbed on the steel surface in accordance with a Langmuir isotherm adsorption model.     

Ni2+ cation and imidazole as corrosion inhibitors for carbon steel in sulfuric acid solutions

Abstract  

The effect of Ni²⁺ cation, imidazole, and mixtures of them on the corrosion behavior of carbon steel in 0.5 M H₂SO₄ solution was studied by using galvanostatic polarization, potentiodynamic anodic polarization, and weight-loss techniques. Ni²⁺ cation, imidazole, and mixtures of them provide a good protection to carbon steel against pitting corrosion in chloride-containing solutions. The inhibiting solutions were analyzed by using UV–Vis spectrophotometry. The inhibition was explained on the basis of formation of a complex between the two components. The inhibition mechanism was discussed in terms of the results derived from corrosion and UV–Vis spectrophotometric measurements as well as conductometric investigations.     

Study of the inhibiting effect of a quaternary ammonium surfactants mixture synthesized from petroleum fraction (reformate) against the carbon steel corrosion in HCl 1 M

Quaternary ammonium cationic surfactants were synthesized from reformate, a liquid mixture of hydrocarbons (aromatics, naphthenes and paraffins), via chloromethylation/quaternization sequences. The petroleum surfactants thus obtained were evaluated as corrosion inhibitors for carbon steel in 1 M HCl, by gravimetry, potentiodynamic polarization and electrochemical impedance spectroscopy. The corrosion inhibiting efficiency was assessed as functions of surfactant concentration. The results showed that the inhibiting efficiency increased with surfactant concentration; its optimal value of 70 % was for a surfactant concentration of 320 mg/L at 25 °C. Potentiodynamic polarization measurements showed that the mixture acts as a mixed type inhibitor. The corrosion inhibiting mechanism is thought to proceed via an adsorption of the surfactant molecules on the steel surface, generating a film and hindering the active sites. Our experimental adsorption data were found to obey the Langmuir adsorption isotherm. SEM images of the treated specimens, revealing the likely formation of a protective film, demonstrated the inhibiting capacity of the petroleum quaternary ammonium surfactants against the carbon steel corrosion.     

Polyvinyl alcohol–sulphanilic acid water soluble composite as corrosion inhibitor for mild steel in hydrochloric acid medium

The inhibitive action of synthesised polyvinyl alcohol–sulphanilic acid (PVASA) composite on the corrosion of commercial mild steel in 1 M HCl medium has been investigated by weight loss, potentiodynamic polarization, and electrochemical impedance spectroscopic (EIS) methods. Characterization of PVASA composite has been carried out using Fourier transform infrared spectroscopy (FTIR). Experimental results reveal that PVASA composite acts as an inhibitor in the acid environment. The inhibition efficiency increases with an increase in the concentration of the inhibitor. Maximum inhibition efficiency of PVASA composite was found to be 84% at 6000 ppm. Thermodynamic and kinetic parameters have been obtained from temperature studies. Electrochemical measurement reveals that PVASA composite acts as a mixed inhibitor and the adsorption follows Langmuir adsorption isotherm.     

Inhibitive effect of imidazopyridine derivative towards corrosion of C38 steel in hydrochloric acid solution

The effect of adding 2-phenylimidazo[1,2-a]pyridine-3-carbaldehyde derivative named (P2), newly synthesized on the electrochemical behavior of C38 steel in molar hydrochloric acid was investigated by using the weight-loss method, potentiodynamic polarization, and electrochemical impedance spectroscopy (EIS) measurements. EIS results show that the transfer resistance increases with the increase of concentration of P2 and it also had an inhibiting effect on C38 steel corrosion in HCl solutions. Weight-loss essays confirm that the corrosion rate decreases as the P2 concentration increases. The inhibition efficiency for this compound studied increased with the increase in the inhibitor concentrations to attain 91.7 % at the 10^?3 M of P2. The potentiodynamic polarization curves indicated that P2 acted as a mixed-type inhibitor in hydrochloric acid.