The influence of some new 2,5-disubstituted 1,3,4-thiadiazoles on the corrosion behaviour of mild steel in 1 M HCl solution: AC impedance study and theoretical approach

The new 2,5-disubstituted 1,3,4-thiadiazoles were investigated as corrosion inhibitors of mild steel in 1 M HCl using AC impedance technique. Four of these compounds exhibit good inhibition properties, while two of them, 2,5-bis(4-nitrophenyl)-1,3,4-thiadiazole and 2,5-bis(4-chlorophenyl)-1,3,4-thiadiazole, stimulate the corrosion process especially at low concentrations. The experimental data obtained from this method show a frequency distribution and therefore a modelling element with frequency dispersion behaviour, a constant phase element (CPE) has been used. Possible correlations between experimental inhibition efficiencies and quantum chemical parameters such as dipole moment (μ), highest occupied (E_HOMO) and lowest unoccupied (E_LUMO) molecular orbitals were investigated. The models of the inhibitors were optimised with the Density Functional Theory formalism (DFT) using hybrid B3LYP/6-31G (2d,2p) as a higher level of theory. The Quantitative Structure Activity Relationship (QSAR) approach has been used and composite index of some quantum chemical parameters were constructed in order to characterize the inhibition performance of the tested molecules.     

Effect of iodide ions on corrosion inhibition of mild steel by 3,5-bis(4-methylthiophenyl)-4H-1,2,4-triazole in sulfuric acid solution

The synergistic effect of iodide ions on the corrosion inhibition of mild steel in 0.5 M sulfuric acid (H₂SO₄) in the presence of 3,5-bis(4-methylthiophenyl)-4H-1,2,4-triazole (4-MTHT) was investigated using weight loss measurements and different electrochemical techniques such as potentiostatic polarization curves and electrochemical impedance spectroscopy (EIS). The inhibition efficiency (E, %) increased with 4-MTHT concentration, but the desorption potential (E _d) remained unchanged with increasing 4-MTHT concentration. The addition of potassium iodide (KI) enhanced E considerably and increased the value of E _d. A synergistic effect was observed between KI and 4-MTHT with an optimum mass ratio of [4-MTHT]/[KI] = 4 × 10^–2. The synergism parameters (S ) calculated from surface coverage were found to be more than unity. This result clearly showed the synergistic influence of iodide ions on the corrosion inhibition of mild steel in 0.5 M H₂SO₄ by 4-MTHT. The adsorption of this inhibitor alone and in combination with iodide ions followed Langmuir's adsorption isotherm.     

3,5-bis(n-Hydroxyphenyl)-4-amino-1,2,4-triazoles and 3,5-bis(n-aminophenyl)-4-amino-1,2,4-triazoles: a new class of corrosion inhibitors for mild steel in 1m HCl medium

A new class of corrosion inhibitors, namely, 3,5-bis(n-hydroxyphenyl)-4-amino-1,2,4-triazoles and 3,5-bis(n-aminophenyl)-4-amino-1,2,4-triazoles which have been labelled n-HPAT and n-APAT has been synthesized. The influence of aminotriazoles on the corrosion of mild steel in 1m HCl has been studied using weight loss and electrochemical impedance spectroscopy. Results obtained show that these compounds are very good anodic inhibitors. The adsorption of these aminotriazoles is found to obey Langmuir adsorption isotherm.     

Adsorption properties and inhibition of mild steel corrosion in hydrochloric solution by some newly synthesized diamine derivatives: Experimental and theoretical investigations

New diamine derivatives, namely 2-[{2-[bis-(2-hydroxyethyl)amino]ethyl}(2-hydroxyethyl)amino]ethanol (DAME) and 2-[{2-[bis-(2-hydroxyethyl)amino]ethyl}(2-hydroxyethyl)amino]propanol (DAMP) were synthesised and their inhibitive action against the corrosion of mild steel in 1 M HCl solution were investigated at 308 K. The detailed study of DAME is given using gravimetric measurements and polarization curves method. Results show that DAME is a good inhibitor and inhibition efficiency reaches 91.7% at 10⁻³ M. Tafel polarization study revealed that DAME acts as a mixed-type inhibitor. The inhibitor adsorption process in mild steel/DAME/hydrochloric acid system was studied at different temperatures (308-353 K) by means of weight loss measurements. The adsorption of DAME on steel surface obeyed Langmuir’s adsorption isotherm. The kinetic and thermodynamic parameters for mild steel corrosion and inhibitor adsorption, respectively, were determined and discussed. The comparative study of inhibitive performance of the two diamine derivatives revealed that DAME is more effective than DAMP. Quantitative Structure-Activity Relationship (QSAR) approach has been conducted in attempt to correlate the corrosion inhibition properties of these diamine derivatives with their calculated quantum chemical parameters.     

Enhanced corrosion resistance of carbon steel in normal sulfuric acid medium by some macrocyclic polyether compounds containing a 1,3,4-thiadiazole moiety: AC impedance and computational studies

We report here the use of macrocyclic polyether compounds containing a 1,3,4-thiadiazole moiety (n-MCTH) in the corrosion inhibition of C38 carbon steel in 0.5 M H₂SO₄ acid medium.

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The aim of this work is devoted to study the inhibition characteristics of these compounds for acid corrosion of C38 steel using electrochemical impedance spectroscopy (EIS). Data obtained from EIS show a frequency distribution and therefore a modeling element with frequency dispersion behaviour, a constant phase element (CPE) has been used. The experimental results obtained revealed that these compounds inhibited the steel corrosion in acid solution and the protection efficiency increased with increasing inhibitors concentration. The difference in their inhibitive action can be explained on the basis of the number of oxygen atoms present in the polyether ring which contribute to the chemisorption strength through the donor acceptor bond between the non bonding electron pair and the vacant orbital of metal surface. Adsorption of n-MCTH was found to follow the Langmuir’s adsorption isotherm. The thermodynamic functions of adsorption process were calculated and the interpretation of the results is given. These results are complemented with quantum chemical study in order to provide an explanation of the differences between the probed inhibitors. Correlation between the inhibition efficiency and the structure of these compounds are presented.     

Inhibitive properties, adsorption and a theoretical study of 3,5-bis(n-pyridyl)-4-amino-1,2,4-triazoles as corrosion inhibitors for mild steel in perchloric acid

Corrosion inhibition of mild steel in molar perchloric acid by 3,5-bis(n-pyridyl)-4-amino-1,2,4-triazoles (n-PAT, n = 2, 3 and 4) was studied at 30 °C using gravimetric and electrochemical impedance spectroscopy techniques. Protection efficiencies of 95% and 92% were obtained with 12 × 10⁻⁴ M of 3-PAT and 4-PAT, respectively; while 2-PAT reached only 65%. The inhibiting properties of n-PAT were found to depend on the concentration and the order of increasing inhibition efficiency was correlated with the modification of the position of the nitrogen atom in the pyridinium substituent. It was shown that adsorption of 4-aminotriazole derivatives on the steel surface is consistent with the Langmuir adsorption isotherm and the obtained standard free energy of adsorption () values indicate that the corrosion inhibition of the mild steel in 1 M HClO₄ is depends on both physic-and chemisorption. A significant correlation is obtained between inhibition efficiency and quantum chemical parameters using semi-empirical quantitative structure-activity relationships (QSAR) approach.     

Theoretical Prediction and Experimental Study of Benzimidazole Derivate as a Novel Corrosion Inhibitor for Carbon Steel in 1.0 M HCl

Protection of Metals and Physical Chemistry of Surfaces - The inhibiting effect of benzimidazole derivate (DBI) on corrosion of carbon steel (CS) at temperature range of 303–333 K was...     

3,5-Diaryl-4-amino-1,2,4-triazole derivatives as effective corrosion inhibitors for mild steel in hydrochloric acid solution: Correlation between anti-corrosion activity and chemical structure

Protection of Metals and Physical Chemistry of Surfaces - The corrosion inhibition efficiency of newly synthesized 3,5-diaryl-4-amino-1,2,4-triazole derivatives was investigated for mild steel...     

2,5-Bis(4-dimethylaminophenyl)-1,3,4-oxadiazole and 2,5-bis(4-dimethylaminophenyl)-1,3,4-thiadiazole as corrosion inhibitors for mild steel in acidic media

2,5-Bis(4-dimethylaminophenyl)-1,3,4-oxadiazole (DAPO) and 2,5-bis(4-dimethylaminophenyl)-1,3,4-thiadiazole (DAPT) have been synthesised and their inhibiting action on the corrosion of mild steel in 1 M HCl and 0.5 M H₂SO₄ at 30 °C has been investigated by various corrosion monitoring techniques. At constant acid concentration, the inhibitor efficiency of both the compounds is found to increase with inhibitor concentration. DAPT is slightly more efficient in 0.5 M H₂SO₄ than in 1 M HCl whereas DAPO is more efficient in 1 M HCl. Of the two, DAPT appears to be a better inhibitor. Potentiostatic polarisation studies show that both are mixed-type inhibitors in 1 M HCl but cathodic-type in 0.5 M H₂SO₄. The inhibitors function through adsorption following Langmuir isotherm in both the acids. The electronic properties of DAPO and DAPT, obtained using the AM1 semi-empirical quantum chemical approach, have been correlated with their experimental inhibition efficiencies using the linear resistance model (LR). These inhibitors are considered as a non-cytotoxic substances.     

On the relationship between corrosion inhibiting effect and molecular structure of 2,5-bis(n-pyridyl)-1,3,4-thiadiazole derivatives in acidic media: Ac impedance and DFT studies

The inhibition properties of 2,5-bis(n-pyridyl)-1,3,4-thiadiazoles (n-PTH) on corrosion of mild steel in different acidic media (1 M HCl, 0.5 M H₂SO₄ and 1 M HClO₄) were analyzed by electrochemical impedance spectroscopy (EIS). The n-PTH derivatives exhibit good inhibition properties in different acidic solutions and the calculated values of revealed that the adsorption mechanism of n-PTH on steel surface is mainly due to chemisorption. While in 1 M HClO₄, both 2-PTH and 4-PTH isomers stimulate the corrosion process especially at low concentrations. Quantum chemical calculations using the density functional theory (DFT) were performed on n-PTH derivatives to determine the relationship between molecular structure and their inhibition efficiencies. The results of the quantum chemical calculations and experimental inhibition efficiency were subjected to correlation analysis and indicate that the inhibition effects of n-PTH may be explained in terms of electronic properties.