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.     

Electrochemical and quantum chemical studies of some azomethine compounds as corrosion inhibitors for mild steel in 1 M hydrochloric acid

The corrosion inhibition effect of new azomethine compounds: PhNNC (COCH₃)NC₆H₄Y {Y = OCH₃ (SB₁), CH₃ (SB₂), H (SB₃), Br (SB₄) and Y = Cl (SB₅)} on mild steel in 1 M HCl, was investigated using potentiodynamic polarization, electrochemical impedance spectroscopy (EIS) and quantum chemistry analysis. It has been found that the inhibition efficiency increased with increasing inhibitor concentration. The polarization curves showed that these Schiff bases function as mixed inhibitors. The adsorption of studied compounds on mild steel surface was found to follow the Langmuir isotherm. Molecular modeling was used to correlate corrosion inhibition properties and calculated quantum chemical parameters.     

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.     

Inhibition of mild steel corrosion in acid solution by Pheniramine drug: Experimental and theoretical study

Inhibition of mild steel corrosion in 1 M HCl solution by Pheniramine drug was studied using weight loss, electrochemical impedance spectroscopy, linear polarization resistance, and potentiodynamic polarization measurements. The values of activation energy (E_a) and different thermodynamic parameters such as adsorption equilibrium constant (K_ads), free energy of adsorption , adsorption enthalpy and adsorption entropy were calculated and discussed. The adsorption process of studied drug on mild steel surface obeys the Langmuir adsorption isotherm. Potentiodynamic polarization measurements showed that Pheniramine is mixed-type inhibitor. Further, theoretical calculations were carried out and relations between computed parameters and experimental inhibition efficiency were discussed.     

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.     

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.     

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.     

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.     

Inhibition effects of 2,5-dimercapto-1,3,4-thiadiazole on the corrosion of mild steel in sulphuric acid solution

The effect of 2,5-dimercapto-1,3,4-thiadiazole (DMTD) on the corrosion of mild steel (MS) in 1.0 M H₂SO₄ was investigated. DMTD acted as a mixed-type inhibitor without change of the mechanism of hydrogen evolution. The inhibition efficiency increased with the increase in concentration of DMTD but decreased with the increase of temperature. Adsorption of the inhibitor on the MS surface obeyed the Langmuir adsorption isotherm. The potential of zero charge suggests MS surface is positively charged in 1.0 M H₂SO₄. Thermodynamics and quantum chemical calculations reveal that the adsorption process of DMTD includes electrostatic interaction and electron donor–acceptor interactions.     

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.     

Experimental and theoretical investigation of organic compounds as inhibitors for mild steel corrosion in sulfuric acid medium

Three synthesized organic compounds were tested as corrosion inhibitors for mild steel in sulfuric acid medium by potentiostatic polarization, FTIR spectroscopy and SEM techniques. Quantum chemical parameters were also calculated to characterize adsorption mechanism. Acceptable correlations were obtained between inhibition efficiency and the calculated quantum chemical parameters. It was found that the investigated compounds exhibit a good inhibition effect especially at 8-10 ppm range concentration, which makes them commercially important. The adsorption of inhibitors on the surface obeys Langmuir adsorption isotherm. The values of activation energy and the thermodynamic parameters, such as K_ads, , and were calculated.     

Caffeic acid as a green corrosion inhibitor for mild steel

The inhibitor effect of the naturally occurring biological molecule caffeic acid on the corrosion of mild steel in 0.1 M H₂SO₄ was investigated by weight loss, potentiodynamic polarization, electrochemical impedance and Raman spectroscopy. The different techniques confirmed the adsorption of caffeic acid onto the mild steel surface and consequently the inhibition of the corrosion process. Caffeic acid acts by decreasing the available cathodic reaction area and modifying the activation energy of the anodic reaction. A mechanism is proposed to explain the inhibitory action of the corrosion inhibitor.     

Study of thioureas derivatives synthesized from a green route as corrosion inhibitors for mild steel in HCl solution

The behaviour of 1,3-dibenzylthiourea (DBTU) and 1-benzyl-3-diisopropylthiourea (DPTU) have been investigated as carbon steel corrosion inhibitors in HCl solution by weight loss measurements, potentiodynamic polarization curves, electrochemical impedance and scanning electron microscopy analysis. Quantum chemical calculation was applied to correlate electronic structure parameters of thiourea derivatives with their inhibition performances. DPTU results were slightly superior to those obtained in the presence of DBTU, showing that the replacement of one benzyl group for two isopropyl groups enhances the inhibitory properties. The 1,3-dibenzylurea derivative has also been studied in order to assess the importance of the sulphur atom to the inhibitory effect.     

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.     

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.     

Inhibition effect of 2-amino-4-methylpyridine on mild steel corrosion: Experimental and theoretical investigation

The effect of 2-amino-4-methylpyridine (AMP) on the corrosion behavior of mild steel (MS) in 0.5 M HCl is investigated with electrochemical methods and theoretical calculations. The electrochemical tests show that the polarization resistance of MS increasing the presence of AMP in acid solution. Adsorption of AMP on MS surface is a physical and obeys the Langmuir isotherm. The quantum parameters signaled adsorption occurs on amine and methyl substituents of AMP. The inhibition efficiency is related to frontier orbital’s energy band gap of AMP, which are 5.357 and 6.490 eV for neutral and protonated molecules in aqueous solution, respectively.     

N-Aminorhodanine as an effective corrosion inhibitor for mild steel in 0.5 M H2SO4

The corrosion inhibition effect of N-aminorhodanine (N-AR) on mild steel (MS) in 0.5 M H₂SO₄ was studied in both short and long immersion duration using potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), linear polarization resistance (LPR), chronoamperometry and hydrogen gas evolution. The surface morphology of MS was examined with scanning electron microscopy (SEM) in absence and presence inhibitor. The inhibitor adsorption process on MS surfaces obeys the Langmuir adsorption isotherm. The results show that NAR is a good inhibitor for MS in the acidic medium. The inhibition efficiency obtained from potentiodynamic polarization, EIS and LPR up to 98% is determined.