Experimental and theoretical investigation of adsorption and inhibition properties of 2-Amino-1,3,5-triazine-4,6-dithiol against corrosion in hydrochloric acid solution on mild steel

In this work, 2-Amino-1,3,5-triazine-4,6-dithiol (2-ATD) as novel and high efficiency corrosion inhibitor has been investigated for mild steel (MS) corrosion in 0.5 M HCl solution using electrochemical methods, scanning electron microscopy (SEM), energy disperse X-ray spectroscopy (EDX), atomic force microscopy (AFM) and quantum chemical calculation methods. Potentiodynamic polarization (PDP) curves indicate that 2-ATD is mixed type inhibitor, corrosion inhibition efficiency increased with increasing inhibitor concentration and reached its value of 96.5%. Evolution of exposure time versus corrosion behavior of 2-ATD is examined in corrosive medium. While corrosion potential (E_corr) shifted more negative values, polarization resistances (R_p) decreased after 120 h exposure time due to the corrosion process. H₂ volume is measured in uninhibited and inhibited solutions (10 mM 2-ATD) after 120 h exposure time. Very low volume (3.6 mL cm⁻²) of H₂ is obtained on MS electrode in inhibited solution after 120 h of exposure, indicating that 2-ATD covers the entire surface against aggressive attack and retards the both anodic dissolution of MS and cathodic hydrogen evolution reactions. The adsorption process proposal is the Langmuir isotherm which is most suitable. Adsorption and thermodynamic parameters show that 2-ATD has a strong adsorption effect onto MS surface and includes mixed adsorption style (physical and chemical). Corrosion current density increases with increasing temperature and high activation energy (Ea) proves the strong adsorption of 2-ATD on the MS surface. Anti-corrosion mechanism of 2-ATD is described more detail with the potential of zero charge method. SEM, EDX and AFM analysis support the obtained results of electrochemical methods and confirm the existence of protective layer and strong adsorption of 2-ATD on the MS surface. Chronoamperometry test shows that current densities are almost constant whole experiment in the presence of organic film. Finally, quantum chemical calculation method of 2-ATD in blank solution is performed to investigate the active sites for possible attachment with MS surface.     

Formation of passivating layers by 1,2,4-triazole derivatives on copper in aqueous solutions

Ellipsometry and electrochemical measurements are used to study the adsorption of some substituted 1,2,4-triazoles on copper and their effect on dissolution of copper in aqueous buffer solutions at pH 7.4. It is found that the adsorption of triazole compounds on copper is polymolecular at potential Е = 0.0 V, in relation to a normal hydrogen electrode. The first layer is described by the Temkin equation with free adsorption energy (−ΔG_a⁰) = 55.2–76.3 kJ/mol and an energy heterogeneity factor that varies from 0.91 to 2.5. The maximum value of −ΔG_a⁰ is found for an acid and a hydrogen sulfide corrosion inhibitor that is a mixture of triazole derivatives. The same inhibitor is the one least sensitive to the energy heterogeneity of the surface of a copper electrode, due to its high chemical reactivity and ability to be adsorbed on different active sites. This inhibitor is likely chemisorbed on copper and forms an ultrathin coating in an aqueous solution that is vastly superior to similar coatings produced by the familiar corrosion inhibitors of triazole group compounds in protecting against atmospheric corrosion.

     

Study of the inhibition of the corrosion of copper and zinc in HNO3 solution by electrochemical technique and quantum chemical calculations

The corrosion inhibition of copper and zinc in 0.1 M HNO₃ by 1,2,3,4-tetrazole (TTZ) and some of its derivatives has been analysed in a comparative study. Two experimental techniques have been used such as weight-loss and electrochemical polarization measurements. The results obtained reveal that the addition of these compounds reduces preferentially the corrosion of Cu rather than that of Zn. The adsorption of tetrazolic compounds on a copper surface was more favourable than their adsorption on a zinc surface. Moreover the inhibition efficiency calculated for copper was found to attain 95% in the presence of 1-phenyl-5-mercapto-1,2,3,4-tetrazole (PMT) while it remains constant at 1% for all compounds tested using zinc as electrode. Relationship between molecular structure and their inhibition efficiency was elucidated by quantum chemical calculations using the density functional theory (DFT).     

Copper corrosion behaviour in acidic sulphate media in the presence of 5-methyl-1<Emphasis Type="Italic">H</Emphasis>-benzotriazole and 5-chloro-1<Emphasis Type="Italic">H</Emphasis>-benzotriazole

The influence of 1H-benzotriazole, 5-methyl-1H-benzotriazole and 5-chloro-1H-benzotriazole on copper corrosion in an acidic sulphate medium was studied, as well as the influence of chloride ions on the corrosion behaviour of copper. The methods used were potentiodynamic measurements, open circuit potential and mass loss. The results show that the examined compounds possess good inhibitory properties in an acidic medium. The potentiodynamic polarisation results indicate that the degree of copper protection against corrosion depends on the concentration of Cl^? ions and the concentration of organic compounds. The adsorption of these compounds on the copper surface follows the Langmuir adsorption isotherm.     

Electroanalytical studies of the corrosion-protection properties of 4-amino-4H-1,2,4-triazole-3,5-dimethanol (ATD) on mild steel in 0.5?N sulfuric acid

Inhibition of the corrosion of mild steel in aerated 0.5?N H₂SO₄ solution by 4-amino-4H-1,2,4-triazole-3,5-dimethanol (ATD) was investigated by use of potentiodynamic polarization (Tafel), electrochemical impedance spectroscopy, adsorption, and surface morphological studies. The effects on the rate of corrosion of inhibitor concentration, temperature, extent of surface coverage, adsorption kinetics, and surface morphology were investigated. Inhibition efficiency increased markedly with increasing ATD concentration and decreased slightly with increasing temperature. The presence of ATD reduced the capacitance of the double layer and increased the charge-transfer resistance. Values of the activation energy (E _a) and of the thermodynamic data adsorption equilibrium constant (K _ads) and free energy of adsorption (??G _ads) were computed from the temperature dependence of the corrosion current. The inhibitor molecule first became adsorbed on the mild steel surface, obeying the Langmuir adsorption isotherm, and substantially reduced the rate of corrosion. Results of electroanalytical studies revealed that ATD acts as a mixed-type inhibitor.     

Phytochemical compounds and anti-corrosion activity of Veronica rosea

The aim of this work is the phytochemical study of the butanolic extract of the aerial parts of Veronica rosea. Four compounds 1–4 have been isolated using different chromatographic methods. The structures of these compounds were determined by NMR spectral analysis and mass spectroscopy. The adsorption and anticorrosion effects of this extract were investigated towards the corrosion of copper in 1 M HNO₃ aqueous by the weight loss technique and potentiodynamic polarization. The results showed that the butanolic extract is a good inhibitor and the inhibition efficiency increases with increasing of concentration of the inhibitor. The adsorption of this extract on the copper specimen surface was spontaneous and obeyed the Langmuir’s adsorption isotherm. Large value of adsorption equilibrium Constant (K _ads = 35 L g^?1) was obtained. The polarization experiments confirmed the data obtained by gravimetric weight-loss. Tafel plot of polarization curves indicates that the extract acts as a mixed type inhibitor.     

Experimental and theoretical studies of acridine orange as corrosion inhibitor for copper protection in acidic media

The corrosion process commonly limits the use of copper in practical applications. The use of corrosion inhibitors is one of the effective methods to reduce the corrosion rate of copper. In this research, the inhibition effect of acridine orange (3,6-bis(dimethylamine)acridine) (AcO) for the protection of copper in 0.5 ?M ?H₂SO₄ solution was studied. For this aim, the change of open circuit potential with exposure time (E_ocp-t), electrochemical impedance spectroscopy (EIS), linear polarization resistance (LPR), anodic and cathodic potentiodynamic polarization measurements (PP) and chronoamperometry (CA) techniques were used. Some quantum chemical parameters (E_HOMO, E_LUMO and dipole moment) were calculated and discussed. The AcO film formed over the copper surface was examined by SEM, EDX, AFM and contact angle measurements. The electrochemical data showed that AcO is an effective corrosion inhibitor even at low concentrations (ranging between 99.1% and %99.4 ?at concentrations from 0.01 ?mM to 1 ?mM). The corrosion rate of copper decreases in the presence of the inhibitor by reducing both anodic and cathodic rates, which is depended on its concentration. This compound behaves as mixed-type corrosion inhibitors with predominantly cathodic type. Its adsorption on the copper surface obeys Langmuir adsorption isotherm. The value of adsorption equilibrium constant (K_ads) and the standard free energy of adsorption were ΔG_ads 1.298 x 10³ ?M^?1 and -27.71 ?kJ/mol in the case of 0.5 ?M ?H₂SO₄ solution containing 1.0 ?mM AcO, which shows the adsorption is high and spontaneous. The adsorbed inhibitor film over the metal increase contact angle of the surface, which suggests the more hydrophobic properties of the surface are increasing coming from the orientation of hydrophobic sites to the electrolyte. The zero charge potential (E_pzc) studies showed that the surface charge of the metal is positive in the corrosive media containing the inhibitor. Quantum chemical calculations showed that the binding of inhibitor molecules to the metal surface takes place through N atoms of the inhibitor.     

Adsorption and inhibition properties of Tephrosia Purpurea as corrosion inhibitor for mild steel in sulphuric acid solution

Abstract

The present study investigated the adsorption and inhibition behavior of leaf extract of Tephrosia Purpurea (T. purpurea) on mild steel corrosion in 1?N H₂SO₄ solution using electrochemical and surface morphological methods. Techniques adopted for electrochemical studies were Potentiodynamic Polarization and Electrochemical Impedance Spectroscopy (EIS) technique; and surface morphological studies were carried out using Scanning Electron Microscopy (SEM), and Atomic Force Microscopy (AFM). The leaf extract of T. purpurea was characterized using UV-Visible spectroscopy (UV-Vis), Fourier-Transform Infrared Spectroscopy (FT-IR), Nuclear Magnetic Resonance Spectroscopy (NMR) and Gas Chromatography – Mass Spectrometry (GCMS). The results obtained from electrochemical studies exhibited the potential of T. purpurea as good corrosion inhibitor. And, it was found that, the inhibition efficiency (I.E in %) increases with increase in concentration of the inhibitor molecules, the optimum inhibitor concentration observed was 300?ppm and the inhibition efficiency of 93% was observed at this inhibitor concentration. Above 300?ppm, there was not much changes in inhibition efficiency. Polarization studies provided the information that the inhibition is of mixed type and EIS confirmed that the corrosion process is controlled by single charge transfer mechanism. And, it was obtained that, the adsorption of inhibitor molecules obeys Langmuir adsorption isotherm. The inhibition is mainly by the adsorption of inhibitor molecules on the mild steel electrode surface, which was confirmed by FT-IR, SEM and AFM studies. Through all the experimental results, it can be arrived that, the leaf extract of T. purpurea performed as a good corrosion inhibitor for mild steel in 1?N sulfuric acid medium.     

Experimental study of inhibition of corrosion of mild steel in 1 M HCl solution by two newly synthesized calixarene derivatives

Inhibition of the corrosion of mild steel in molar hydrochloric acid by two calixarenes, including the effect of inhibitor concentration and temperature, has been investigated by use of weight loss and electrochemical measurements (polarisation and impedance). The results obtained showed that the rate of corrosion decreased substantially in the presence of the compounds, with maximum inhibition of 98.2 % by one of the compounds at a concentration of 10^?3 M. The effect of temperature on corrosion behaviour in the presence of different concentrations of the two new calixarenes was studied in the range 45–75 °C. The efficiency of inhibition by the compounds increased with increasing inhibitor concentration and was independent of temperature. Polarisation curves revealed that the calixarenes are mixed-type inhibitors. Adsorption of the inhibitors by the carbon steel surface obeyed the Langmuir adsorption isotherm. Some thermodynamic data for the dissolution and adsorption processes were also determined.     

Application of Polytyramine Nanoparticles to the Corrosion Protection of Copper

Electrochemical polymerization of tyramine was achieved on copper electrode surface from tyramine in 0.3 M oxalic acid (pH=1.2) solution by using cyclic voltammetry technique. The formation of polytyramine nanoparicles (PTN) were characterized by cyclic voltammetry (CV), fourier transform infrared‐attenuated total reflectance (FTIR‐ATR) spectroscopy and scanning electron microscopy (SEM). The corrosion behavior of PTN coated copper was investigated by means of the change of open circuit potential with exposure time (E_ocp t), electrochemical impedance spectroscopy (EIS) and anodic polarization curves in 3.5 % NaCl solutions at room temperature. The obtained results showed the shift of corrosion potential toward positive values for electropolymerized copper and a significant decrease in corrosion current and corrosion rate in comparison with bare copper, so that the PTNs coating could be used as an important protection against corrosion of copper.     

Spectroelectrochemical study of the corrosion of a copper electrode in deaerated 1.0 M HCl solutions containing Fe(III): Effect of the corrosion inhibitor benzotriazole

The corrosion rate of a copper electrode in deaerated 1.0 M HCl by Fe(III) ions, in the absence and presence of benzotriazole (BTAH), has been evaluated through weight-loss experiments using a rotating disk electrode (RDE). The corrosion process is controlled by transport of the Fe(III) ions to the electrode surface both in the absence and presence of BTAH. The inhibiting action is initiated at BTAH concentrations around 10 mM and the Langmuir adsorption isotherm is obeyed in the BTAH concentration range from 10 to 45 mM with an apparent equilibrium adsorption constant of 10 M⁻¹. Above this concentration, the Langmuir plot is not obeyed due to the formation of a multilayer. The surface films formed during the corrosion process have been investigated by “in situ” and “ex situ” fluorescence and Raman spectroscopy and characterized as being composed of the polymeric [Cu(I)BTA] complex and [Cu(I)CIBTAH]₄, the former as an inner layer response for the corrosion inhibition process.     

Electrochemical investigation of a schiff base synthesized by cinnamaldehyde as corrosion inhibitor on mild steel in acidic medium

The inhibiting effect of (NE)-4-phenoxy-N-(3-phenylallylidene) aniline (PAC) on the corrosion of mild steel in 1.0 M HCl has been studied by electrochemical impedance spectroscopy, and Tafel polarization measurements. The corrosion rate was also calculated theoretically in terms of mm per year and mil per year, using current density values of mild steel in 1.0 M HCl medium. It was found that PAC has a remarkable inhibition efficiency on the corrosion of mild steel especially at high temperatures. The values of E _a obtained in presence of a Schiff base were found to be lower than those obtained in the inhibitor-free solution. The increase of inhibition efficiency percent with temperature increase was associated with the transformation of physical adsorption into chemical adsorption. The thermodynamic functions of adsorption processes have been evaluated and discussed at each temperature. Scanning electron microscope observations of the electrode surface confirmed the existence of a protective adsorbed film of the inhibitor on the electrode surface.     

Glutathione as green corrosion inhibitor for 6061Al-SiC(p) composite in HCl medium: electrochemical and theoretical investigation

This research deals with the inhibition activity of glutathione in 0.5 M HCl on the corrosion behavior of 6061Al-SiC_(p) composite. Glutathione is an eco-friendly water-soluble inhibitor. Polarization results reveal the cathodic inhibitor behavior of glutathione (Gt). The inhibition performance of Gt increases by increasing its concentration and lowering the medium temperature. The decrease in the corrosion current density and increase in inhibition efficiency on increasing Gt concentration reveal the attenuation of composite corrosion. Experimental results indicate the mixed adsorption with predominantly physisorption of Gt molecules adsorption on the composite surface following Langmuir adsorption isotherm. The impedance measurements indicate the rise in polarization resistance with an increase in Gt concentration, showing the control of composite corrosion. The surface analysis of the corroded and inhibited composite samples using a scanning electron microscope and atomic force microscope supports Gt molecules’ adsorption. The quantum chemical calculations confirm the conclusions of the experimental studies.

     

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.     

嘧啶衍生物对钢在盐酸溶液中的缓蚀作用

采用失重法、动电位极化曲线、电化学阻抗谱(EIS)、量子化学计算研究了两种嘧啶衍生物(2-羟基嘧啶(HP)和2-巯基嘧啶(MP))在1.0-5.0 mol·L^-1 HCl溶液中对冷轧钢(CRS)的缓蚀作用. 结果表明: HP和MP在1.0 mol·L^-1 HCl溶液中对冷轧钢具有良好的缓蚀作用, 且在钢表面的吸附符合Langmuir吸附等温式. 缓蚀率随缓蚀剂浓度的增加而增大, 但随盐酸浓度的增加而减小.求出了相应的吸附热力学参数(吸附平衡常数(K),吸附自由能(ΔG⁰))和腐蚀动力学参数(表观活化能(E_a)、指前因子(A)、腐蚀速率常数(k)、动力学常数(B)), 并根据这些参数讨论了缓蚀作用机理. 动电位极化曲线表明, MP和HP均为混合抑制型缓蚀剂; EIS谱呈单一容抗弧,电荷转移电阻随缓蚀剂浓度的增加而增大. 两种嘧啶化合物的缓蚀率排序为MP>HP. 量子化学计算结果表明,MP比HP更具吸附活性,缓蚀性能的理论计算和实验结果相一致.     

Inhibition of acid corrosion of carbon steel using aqueous extract of olive leaves

The inhibitive action of the aqueous extract of olive (Olea europaea L.) leaves toward the corrosion of C-steel in 2 M HCl solution was investigated using weight loss measurements, Tafel polarization, and cyclic voltammetry. It was found that the extract acts as a good corrosion inhibitor for the tested system. The inhibition efficiency increases with increasing extract concentration. The inhibitive action of the extract is discussed with a view to adsorption of its components onto the steel surface, making a barrier to mass and charge transfer. The adsorption of extract components onto the steel surface was found to be a spontaneous process and to follow the Langmuir adsorption isotherm. It was found also that such adsorption increases the activation energy of the corrosion process. The results of cyclic voltammetry showed that the presence of olive extract decreases the charge density in the transpassive region. The inhibition efficiency is greatly reduced as the temperature is increased.     

Corrosion inhibition performance of 2-ethyl phenyl-2, 5-dithiohydrazodicarbonamide on Fe (110)/Cu (111) in acidic/alkaline solutions: Synthesis,experimental, theoretical,and molecular dynamic studies

Herein, 2-ethyl phenyl-2,5-dithiohydrazodicarbonamide (2EPDCA) was synthesised and tested as a corrosion inhibitor for mild steel (MS) and copper (Cu) in 1 M HCl and 3.5% NaCl, respectively. Fourier transform infrared spectroscopy (FT-IR) and (NMR) nuclear magnetic resonance (¹H, ¹³C) were used to identify the chemical structure. Both experimental and computational approaches have been conducted to evaluate inhibitor efficiency on both metal systems. The electrochemical results showed that the 2EPDCA inhibition efficiency for MS systems was 95% at 1 × 10^?2 M, while in copper systems it was 97.5% at 1 × 10^?2 M. The Langmuir adsorption isotherm was fitted using adsorption surface coverage data, and for inhibitor in both systems, the kind of adsorption was mixed (physisorption and chemisorption). Through scanning electron microscopy (SEM), EDX, and atomic force microscopy (AFM) tests, we have confirmed the presence of the inhibitor molecules on the metal surface in both systems. Quantum chemistry simulations indicate that the superior corrosion inhibition efficacy of 2EPDCA on copper compared to mild steel surfaces is attributable to the former's greater electron donating propensity on copper. The adsorption of 2EPDCA molecules on Fe (110) and Cu (111) surfaces was further verified by molecular dynamic simulations, with the former having a greater adsorption energy. The results indicate that the corrosion inhibitor was effective even in harsh conditions, and it can be thought of as a novel corrosion inhibitor for mild steel and copper that provides good protection.     

A Study of the Electrochemical Behavior of Copper in Acid Medium in Presence of Some Organic Amine Compounds

The rate of corrosion of copper metal in presence of methyl amine, dimethyl amine, diethyl amine, triethyl amine, diethanol amine, and triethanol amine determined by measuring the anodic limiting current. The factors used are type of organic amine compounds and its concentration, concentration of H₃Po₄, viscosity of solution, density, diffusion coefficient, and rate of rotation. It has been found that, the rate of corrosion decrease in presence of these compounds. The inhibition percentage ranged from 9.72% to 80.14% depending on the type of inhibitor and its concentration. It is suggested that the decrease in the rate of corrosion is attributed to the increase in interfacial viscosity of the solution and decrease the diffusion coefficient of the copper ion. It has been found that we can apply the Langmuir, Flory-Huggins, and kinetic adsorption isotherms. It has been found that the rate of inhibition is increases in order: methyl amine, dimethyl amine, diethyl amine, triethyl amine, diethanol amine, and triethanol amine. The rate of corrosion depends on the H₃Po₄ concentration as well as on the electrode height. The limiting current in undivided cells is higher than in divided cells due to the uprising H₂ bubbles, which enhances the rate of corrosion. Also, the rate of corrosion was found to increase by increasing the speed of rotating electrode. The dimensionless groups were calculated, and the relation between them was given and the equation given as following: Sh = 0.5046 Re^0.7201(Sc)^0.33 for methyl amine; Sh = 0.5381 Re^0.7157(Sc)^0.33 for dimethyl amine; Sh = 0.4887 Re^0.7356(Sc)^0.33 for diethyl amine; Sh = 0.5167 Re^0.7207(Sc)^0.33 for triethyl amine; Sh = 0.5373 Re^0.7238(Sc)^0.33 for diethanol amine; and Sh = 0.4958 Re^0.7280(Sc)^0.33 for triethanol amine.     

Anticorrosive property of Spiraea Cantoniensisis extract as an eco-friendly inhibitor on mild steel surface in acid medium

Abstract

The inhibitive performance of methanolic extract of eco-friendly green inhibitor Spiraea cantoniensis (S. cantoniensis) on inhibiting corrosion of mild steel (MS) in 1?M HCl was studied by weight loss, AC-impedance, Fourier transform infrared spectroscopy (FT-IR), Raman, x-ray diffraction (XRD), ultraviolet-visible (UV-Vis), atomic absorption spectroscopy (AAS), and scanning electron microscopy (SEM) analysis. The results showed that the corrosion rate significantly decreased in the presence of the S. cantoniensis inhibitor with a gradual increase in inhibition efficiency at an increased inhibitor concentration. The temperature studies were conducted which included activation energy (E_a), change in enthalpy (ΔH°_ads), change in entropy (ΔS°_ads), change in free energy (ΔG°_ads) and heat of adsorption (Q_ads). These calculations were helpful to determine the reaction mechanism and proved it as a physisorption type following the Langmuir adsorption isotherm. The analysis of the protective film using FT-IR, Raman, XRD, and SEM analysis clearly showed the potentiality of S. cantoniensis in blocking the MS surface to prevent corrosion by 1?M HCl. The solution analysis via AAS and UV-Vis showed the inhibitive effect of the inhibitor (S. cantoniensis) in both inhibitive and the uninhibitive solution exhibiting the adsorption of the phytochemical molecules on the MS surface.     

Quantum chemical study of inhibition of the corrosion of mild steel in 1 M hydrochloric acid solution by newly synthesized benzamide derivatives

The inhibitory effect of some new synthesized benzamide compounds on corrosion of mild steel in 1 M HCl solution has been studied by use of weight loss measurements and the electrochemical techniques potentiodynamic polarization and electrochemical impedance spectroscopy. The inhibiting action is more pronounced with increasing concentration. Inhibition efficiency is maximum (approximately 99 %) at 10^?3 M. Polarization measurements also show that the compounds act as mixed inhibitors. The cathodic curves indicate that reduction of protons at the mild steel surface occurs as a result of a pure activating mechanism. EIS measurements reveal increased transfer resistance with increasing inhibitor concentration. The presence of heteroatoms increases inhibition efficiency without causing a drastic change in adsorption mechanism, which follows the Langmuir isotherm model. Significant correlations were obtained between inhibition efficiency with the chemical indexes calculated, by use of the standard software Gaussian03, on the basis of density functional theory (DFT) at the B3LYP/6-31G** level of theory, indicating that variation of inhibition with inhibitor structure may be explained in terms of electronic properties. The effect of temperature on the corrosion behaviour of steel in 1 M HCl without and with inhibitors at 10^?3 M was studied in the temperature range from 308 to 333 K, and the associated activation energy was determined.