Electrochemical and quantum chemical studies of 3,4-dihydropyrimidin-2(1H)-ones as corrosion inhibitors for mild steel in hydrochloric acid solution

The inhibition effect of 3,4-dihydropyrimidin-2(1H)-ones (DHPMs) on the corrosion of mild steel in hydrochloric acid medium has been investigated using weight loss measurements, electrochemical impedance spectroscopy, potentiodynamic polarization and quantum chemical study. Among the compounds studied, DHPM-3 exhibited the best inhibition efficiency η (%) 99% at 10 mg L⁻¹ at 308 K. Polarization measurements indicate that all the examined compounds are of mixed-type inhibitor. The adsorption of studied compounds obeyed the Langmuir’s adsorption isotherm. The electronic properties obtained using quantum chemical approach, were correlated with the experimental inhibition efficiencies.     

Thermodynamic, electrochemical and quantum chemical investigation of some Schiff bases as corrosion inhibitors for mild steel in hydrochloric acid solutions

The corrosion inhibition of mild steel in 1.0 M HCl solution by four Schiff bases was investigated using weight loss and electrochemical measurements and quantum chemical calculations. All compounds showed >90% inhibition efficiency at their optimum concentrations. The activation energy (E_a) of corrosion and other thermodynamic parameters were calculated to elaborate the mechanism of corrosion inhibition. The adsorption of the inhibitors on the mild steel surface follows Langmuir isotherm model. Polarization studies indicated that all studied inhibitors are mixed type. The computed quantum chemical properties viz., electron affinity (EA) and molecular band gap (ΔE_MBG) show good correlation with experimental inhibition efficiencies.     

Experimental and theoretical studies for mild steel corrosion inhibition in 1 M HCl by two new benzothiazine derivatives

The inhibition effect of new heterocyclic compounds, namely 2-aryl-benzothiazin-3-one (P1) and 3-aryl-benzothiazin-2-one (P2) on mild steel corrosion in 1 M HCl was investigated using electrochemical measurements. The results indicated that the inhibition efficiency depends on concentration and molecular structure of the investigated compounds. It is also found that the inhibition of P1 is greater than P2. The molecular structure effect on the corrosion inhibition efficiency was investigated using DFT calculations. The structural and electronic parameters were calculated and discussed. The obtained results show that the experimental and theoretical studies agree well and confirm that P1 is the better inhibitor.     

Benzimidazole and its derivatives as corrosion inhibitors for mild steel in 1M HCl solution

In this paper, the inhibition ability of benzimidazole and its derivatives against the corrosion of mild steel in 1M HCl solution was studied. The change of impedance parameters observed by variation of inhibitors concentration within the range of 50-250 ppm was an indication of their adsorption. The thermodynamic adsorption parameters proposed that these inhibitors retard both cathodic and anodic processes through physical adsorption and blocking the active corrosion sites. The adsorption of these compounds obeyed the Langmuir’s adsorption isotherm. The inhibition efficiency was increased with inhibitor concentration in the order of 2-mercaptobenzimidazole > 2-methylbenzimidazole > benzimidazole, which is in accordance with the variation of apparent activation energy of corrosion.     

Electrochemical and quantum chemical studies of some indole derivatives as corrosion inhibitors for C38 steel in molar hydrochloric acid

A comparative study of 9H-pyrido[3,4-b]indole (norharmane) and 1-methyl-9H-pyrido[3,4-b]indole (harmane) as inhibitors for C38 steel corrosion in 1 M HCl solution at 25 °C was carried out. Potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques were applied to study the metal corrosion behavior in the absence and presence of different concentrations of these inhibitors. The OCP as a function of time were also established. Cathodic and anodic polarization curves show that norharmane and harmane are a mixed-type inhibitors. Adsorption of indole derivatives on the C38 steel surface, in 1 M HCl solution, follows the Langmuir adsorption isotherm model. The values were calculated and discussed. The potential of zero charge (PZC) of the C38 steel in inhibited solution was studied by the EIS method, and a mechanism for the adsorption process was proposed. Raman spectroscopy confirmed that indole molecules strongly adsorbed onto the steel surface. The electronic properties of indole derivates, obtained using the AM1 semi-empirical quantum chemical approach, were correlated with their experimental efficiencies using the linear resistance model (LR).     

Tryptamine as a corrosion inhibitor of mild steel in hydrochloric acid solution

The inhibitor effect of tryptamine on the corrosion of mild steel in 0.5 M hydrochloric acid at 30 °C was investigated using linear polarization, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques. The inhibition efficiency increases with an increase in concentration of tryptamine. At 500 ppm tryptamine the inhibition efficiency calculated by these techniques is around 97%. Cathodic and anodic polarization curves of mild steel in the presence of different concentrations of tryptamine at 30 °C reveal that it is a mixed type inhibitor. Tryptamine follows Langmuir adsorption with adsorption free energy of −35.07 kJ mol⁻¹.     

Experimental and theoretical studies of thiazoles as corrosion inhibitors for mild steel in sulphuric acid solution

The inhibition effects of 2-amino-5-mercapto-1,3,4-thiadiazole (2A5MT) and 2-mercaptothiazoline (2MT) on mild steel corrosion in 1.0 M H₂SO₄ were studied with potentiodynamic polarization, linear polarization resistance and electrochemical impedance spectroscopy techniques. It was shown that both 2A5MT and 2MT act as good corrosion inhibitors for mild steel protection. The high inhibition efficiencies were attributed to the simple blocking effect by adsorption of inhibitor molecules on the steel surface. The effects of the presence of extra NH₂ group and N atom in 2A5MT on the ability to act as corrosion inhibitors were investigated by theoretical calculations.     

Sodium phthalamates as corrosion inhibitors for carbon steel in aqueous hydrochloric acid solution

Three compounds of N-alkyl-sodium phthalamates were synthesized and tested as corrosion inhibitors for carbon steel in 0.5 M aqueous hydrochloric acid. Tests showed that inhibitor efficiencies were related to aliphatic chain length and dependent on concentration. N-1-n-tetradecyl-sodium phthalamate displayed moderate efficiency against uniform corrosion, 42–86% at 25 °C and 25–60% at 40 °C. Tests indicated that compounds behave as mixed type inhibitors where molecular adsorption on steel followed Langmuir isotherm, whereas thermodynamic suggested that a physisorption process occurred. XPS analysis confirmed film formation on surface, where Fe⁺² complexes and Fe⁺² chelates with phthalamates prevented steel from further corrosion.     

Electrochemical and quantum chemical assessment of two organic compounds from pyridine derivatives as corrosion inhibitors for mild steel in HCl solution under stagnant condition and hydrodynamic flow

In this study, the inhibitive performance of two pyridine derivatives as corrosion inhibitors for mild steel was examined under stagnant condition and hydrodynamic flow in HCl solution at 25 °C. Potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques were employed. To explore the inhibitors adsorption mechanism, Langmuir isotherm and quantum chemical studies were used. The results of electrochemical measurements show that the inhibitor concentration has a positive effect on its efficiency while for hydrodynamic condition, it is vice versa. Corrosion attack morphologies were observed at stagnant and hydrodynamic conditions to verify qualitatively the results obtained by electrochemical methods.     

Schiff bases of increasing complexity as mild steel corrosion inhibitors in 2 M HCl

The effect of three Schiff base compounds with increasing number of coordination sites, namely, 2-{(E)-[(2-hydroxyethyl)imino]methyl} phenol (I), 2-[(E)-({2-[(2-hydroxyethyl)amino]ethyl}imino)methyl]phenol (II) and 2,2′-{iminobis[ethane-2,1-diylnitrilo(E)methylylidene]}diphenol (III) have been investigated at 298 K by weight loss measurements, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) methods. The inhibition efficiencies obtained from all methods employed are in good agreement. Results show compound III to be the best inhibitor with a mean efficiency of 93% at 10⁻² M additive concentration. Studies showed all three compounds to act as mixed type inhibitors.     

Investigation on some Schiff bases as corrosion inhibitors for mild steel

In the present work, the effect of some newly synthesized Schiff bases containing sulphur nitrogen as heteroatom was investigated on mild steel corrosion in acidic media. Electrochemical studies of the mild steel samples were performed in an aerated solution of 0.1 M HCl + dimethyl sulphoxide (DMS) as co-solvent. DMS is also behaving as a corrosion inhibitor for mild steel. At low inhibitor concentration and short immersion time one can see only the inhibitive effect of DMS as anodic inhibitor for mild steel. At high concentration and long immersion time inhibition efficiencies are increased and cathodic inhibition is observed.     

4-Substituted anilinomethylpropionate: New and efficient corrosion inhibitors for mild steel in hydrochloric acid solution

4-substituted anilinomethylpropionate namely 3-anilinomethylpropionate (Inh-1), 3-(4-methylanilino)methylpropionate (Inh-2) and 3-(4-chloroanilino) methylpropionate (Inh-3) were synthesized and investigated as corrosion inhibitors of mild steel in 1 N HCl solution using weight loss, polarization resistance, Tafel polarization and electrochemical Impedance spectroscopy techniques. The inhibition efficiency of the synthesized inhibitors followed the order Inh3 > Inh2 > Inh1. The inhibiting action of the all inhibitors was found to depend on electronic nature of functional groups present in inhibitors. Potentiodynamic polarizations suggest that all inhibitors are mixed type in nature. Electrochemical impedance spectroscopy was also used to investigate the mechanism of corrosion inhibition.     

Inhibition effects of some Schiff’s bases on the corrosion of mild steel in hydrochloric acid solution

The corrosion inhibition effect of 4-{[(1Z)-(2-chloroquinolin-3-yl)methylene]amino} phenol (CAP), N-[(1Z)-(2-chloroquinolin-yl)methylene]-N-(4-methoxyphenyl)amine (CMPA) and N-[(1E)-(2-chloroquinolin-3-yl)methylene]-N-(4-nitrophenyl)amine (CNPA) on mild steel in 1.0 M HCl has been investigated using mass loss, polarization and electrochemical impedance techniques at 300 K. The inhibition efficiencies increased with increase in inhibitors concentration. Polarization studies showed that the inhibitors are of predominantly cathodic character. Among the three compounds studied, CAP exhibited the best performance giving more than 97% IE. Some samples of mild steel were examined by SEM. All the inhibitors were found to adsorb on the mild steel surface according to the Langmuir adsorption isotherm.     

Investigation of corrosion inhibition mechanism and stability of Vitamin B1 on mild steel in 0.5 M HCl solution

The corrosion inhibition mechanism and the stability of Vitamin B1 (VitB1) on mild steel in 0.5 M HCl solution were investigated. Surface of the steel after exposing to test solutions were examined by scanning electron microscopy (SEM), atomic force microscopy (AFM), and energy dispersive X-ray spectroscopy (EDX). The stability of the inhibitor film was investigated by electrochemical impedance spectroscopy (EIS), chronoamperometry (CA), and cyclic voltammetry (CV) techniques. It was found that VitB1 acts by adsorption on mild steel via physical and chemical interactions and a protective film formation. The inhibitor film evenly distributes over the steel surface and is stable.     

Quantum chemical studies on corrosion inhibition of some lactones on mild steel in acid media

Study of the efficacy of some lactones to counter iron corrosion in 1 M hydrochloric acid using ab initio quantum chemical deductions and its comparison with the available experimental data forms a part of this research. It is believed that the inhibition efficiency has lucid correlation with the charge of oxygen atoms of inhibitor molecules. Furthermore, thermo-chemical calculations for oxepan-2-one (L3) on iron cluster result in adsorption energies close to experimental values. However, the interaction energies of L3 and iron cluster with the natural bond orbital are also reported. Furthermore, interaction energy of hydrogen ion and inhibitor with iron surface is investigated.     

Novel isoxazolium cationic Schiff base compounds as corrosion inhibitors for carbon steel in hydrochloric acid

The corrosion of carbon steel in 0.5 M HCl at 25 °C was investigated in the presence of two synthesized quaternary isoxazolium Schiff base series using gravimetric, polarization and electrochemical impedance measurements. The measurements showed a gradual increase in the inhibitors efficiencies by increasing the dose and hydrophobic chain length. The calculated activation energies proposed that the inhibitor molecules are adsorbed physically onto the metal surface. Surface activity-inhibition tendency relation showed the gradual increase of the inhibition efficiency by increasing the hydrophobic chain length.     

The effect of some bis-thiadiazole derivatives on the corrosion of mild steel in hydrochloric acid

The inhibition effect of bis-thiadiazole derivatives (BTDs) against the corrosion of mild steel in 1 M HCl solution was studied by weight loss, electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization methods. All the BTDs exhibited >90% inhibition efficiency at concentration as low as 40 ppm. The adsorption of BTDs obeyed Langmuir adsorption isotherm. Both thermodynamic and activation parameters were calculated and discussed. Polarization curves indicate that they are mixed type of inhibitors. All the BTDs were adsorbed physically at lower concentration where as chemisorption was favoured at higher concentration.