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The aim of this study is to evaluate the corrosion inhibitory properties of three piperazine derivatives – Ethyl 5-(piperazine-1-yl) benzofuran-2-carboxylate (EPBC), 5-[4–(1-tert-butoxyethenyl) piperazin-1-yl]-1-benzofuran-2-carboxamide (BBPC) and Tert-butyl-4–(2-(ethoxycarbonyl)benzofuran-5-yl)-piperazine-1-carboxylate (TBPC) – on Al surfaces in the presence of hydrochloric acid (HCl). The research uses density functional theory (DFT) and molecular dynamics simulations to explore the effectiveness of these derivatives as corrosion inhibitors and to understand their adsorption behavior at the molecular level.

This study uses a computational approach using DFT at various levels (B3LYP/6–31+G(d,p), B3LYP/6–311+G(d,p), WB97XD/DGDZVP) to calculate essential quantum chemical parameters such as energy gap (ΔE), ionization energy (I), absolute electronegativity (χ), electron affinity (E), dipole moment (µ), absolute softness (s), fraction of electron transferred (ΔN) and absolute hardness (η). The Fukui function and local softness indices are used to assess the sites for electrophilic and nucleophilic attacks on the inhibitors. Molecular dynamics simulations are performed to analyze the adsorption behavior of these derivatives on the Al (110) surface using the adsorption locator method. Theoretical methods like DFT provide quantum chemical parameters, explaining inhibitor reactivity, whereas molecular dynamics simulate adsorption behavior on Al (110), both supporting and correlating with experimental inhibition efficiency trends.

This study demonstrates that all three piperazine derivatives exhibit strong adsorption on the Al surface, with high adsorption energies, good solubility and low toxicity, making them effective corrosion inhibitors in acidic environments. Among the three, TBPC showed superior inhibitory performance, particularly in the presence of HCl, due to its optimal electronic properties and stable adsorption on the Al (1 1 0) surface.

This research contributes to the field by combining DFT calculations and molecular dynamic simulations to evaluate the corrosion inhibition potential of piperazine derivatives comprehensively. This work advances the understanding of the adsorption mechanisms of organic inhibitors on metal surfaces and offers a detailed quantum chemical and adsorption behavior analysis.

The purpose of this paper is to present the results of some corrosion inhibition studies of brass in 3N HNO3 by gemini surfactants.

Gemini surfactants namely: N‐trimethyl butane‐diyl‐1,2‐ethane‐bis‐ammonium bromide (BEAB), N‐hexane‐diyl‐1,2‐ethane‐bis‐ammonium bromide (HEAB), N‐dodecane‐diyl‐1,2‐ethane‐bis‐ammonium bromide (DDEAB) and N‐hexadecane‐diyl‐1,2‐ethane‐bis‐ammonium bromide (HDEAB) were synthesized in the laboratory and their influence has been investigated for controlling the dissolution of brass in 3N HNO3. Weight loss, potentiodynamic polarization and electrochemical impedance have been employed for the study. Weight loss experiments were performed as per standard method (ASTM, 1987). Potentiodynamic polarization studies were carried out using EG&G PARC potentiostat/galvanostat (model 173), universal programmer (model 175) and X‐Y recorder (model RE 0089) and impedance measurements were carried out with an EG&G PAR (model 5301 A) lock‐in‐amplifier, using an IBM computer.

The inhibition efficiency for all the gemini surfactants increases with increase in concentrations. The maximum inhibition efficiency of each inhibitor was achieved at 250 ppm concentration. The inhibition efficiency of all the inhibitors decreases on increasing the temperature from 30 to 50°C. The results of potentiodynamic polarization studies revealed that all the compounds were mixed type inhibitors and inhibit the corrosion of brass by blocking the active sites of the metal. The adsorption of the compounds on brass surface in 3N HNO3 has been found to obey the Langmuir adsorption isotherm.

The paper provides information regarding corrosion inhibition of brass in 3N HNO3, the mechanism of the inhibition on the basis of molecular structures of the inhibitors, activation energy and free energy of adsorption.

The purpose of this paper is to investigate the effect that different concentrations of the inhibitor sulphathiazole have on the corrosion of aluminum in 0.01, 0.05 and 0.10 M trichloroacetic acid (TCA), and to elucidate the mechanisms of inhibition for this system.

Gravimetric measurements and galvanostatic polarization were used to investigate the effect of sulphathiazole on the corrosion of aluminum in TCA solution. The findings were used to determine the corrosion rates and efficiencies of the inhibitor at different concentrations.

The corrosion rate of aluminum decreased with increasing inhibitor concentrations and the efficiency of inhibition increased with increasing concentration of inhibitor up to almost 89 percent in 0.01 M TCA and up to 65.87 percent in 0.10 M TCA. The concentrations of inhibitor were in the range of 5‐20 mM. Absorption of the inhibitor was onto the aluminum surface and consistent with the Langmuir adsorption isotherm. A plot of log (θ/1−θ) versus log C gave a straight line, which suggests that the inhibitor covers both the anodic and cathodic regions. From the plot of the isotherm, it was observed that one inhibitor molecule occupies more than one active site. The mean ΔG_ads⁰ values were negative almost in all cases, indicating that the adsorption was spontaneous and that the mechanism of adsorption was physical – i.e. electrostatic attraction. Polarization data revealed that the inhibitor functions as a mixed inhibitor.

The paper deals with the inhibition of corrosion of 2S commercially pure aluminum in 0.01, 0.05 and 0.10 M solutions of TCA. To date, not much detailed information has been generated about this problem.

The purpose of this paper is to study the inhibitive and adsorptive characteristics of ethanol extract of Gongronema latifolium (GL) as a corrosion inhibitor for mild steel in H₂SO₄.

The inhibition efficiencies were evaluated using thermometric and hydrogen evolution techniques.

The inhibition efficiency of ethanol extract of GL vary with concentration of the extract, period of immersion and with temperature. The extract acts as an inhibitor because of its phytochemical and amino acid composition. The extract is adsorbed spontaneously on the surface of mild steel according to Langmuir adsorption isotherm. The mechanism of physical adsorption is proposed from the trend of the inhibition efficiency with temperature and the values of some kinetic and thermodynamic parameters obtained.

The study provides information on the use of ethanol extract of GL as a corrosion inhibitor. Electrochemical studies such as polarisation and alternating current impedance spectra will throw more light on the mechanistic aspects of the corrosion inhibition.

Ethanol extract of GL can be used as an environmentally friendly inhibitor for the corrosion of mild steel in H₂SO₄.

This environmentally friendly inhibitor could find possible applications in metal surface anodising and surface coatings.

To investigate the effect of halide ions on the corrosion inhibition of mild steel using polyvinyl alcohol (PVA) in H₂SO₄ at 30‐60°C and to study the mechanism of action.

The corrosion rates were determined using the gravimetric (weight loss) and gasometric (hydrogen evolution) techniques. The results obtained in the absence and presence of PVA, halides, PVA – halides combination were used to calculate the inhibition efficiency (%I), degree of surface coverage and to propose the mechanism of inhibition and type of adsorption.

Results obtained showed that inhibition efficiency (%I) increased with the increase in concentration of PVA, on the addition of halides and with the increase in temperature. Phenomenon of chemical adsorption was proposed and PVA was found to obey Langmuir, Flory‐Huggins and Freundlich adsorption isotherms. The synergism parameter, S₁, evaluated was found to be greater than unity and the values of E_a, ΔH°, ΔS° and ΔG° obtained revealed that the adsorption process was spontaneous.

Electrochemical studies such as polarization and AC impedance spectra will enlighten more on the mechanistic aspects of the corrosion inhibition and more polymers need to be evaluated as corrosion inhibitors.

PVA can be used as corrosion inhibitor and the addition of halides to PVA improves the inhibition efficiency considerably.

This paper provides new information on the effects of halides on the corrosion inhibition using PVA as an inhibitor for mild steel in acidic medium. Such a study had not been reported elsewhere.

This paper mainly aims to study the influence of some thiosemicarbazides, namely, 1‐hydroxyphenyl‐4‐phenyl thiosemicarbazide (HPT), 1,4‐diphenyl thiosemicarbazide (DPT), 1‐aminophenyl‐4‐phenyl thiosemicarbazide (APT) and 1‐cinnamyl‐4‐phenyl thiosemicarbazide (CPT) on the corrosion inhibition of carbon steel in hydrochloric and sulphuric acid.

All inhibition experiments were conducted on carbon steel in 1N HCl and 1N H₂SO₄ solution. Weight loss experiments were carried out according to the ASTM standard procedure. Polarization studies were carried out in a three‐electrode cell assembly connected to an EG&G Princeton applied research potentiostat/galvanostat (model 173).

For all the compounds a consistent trend of increase in inhibition efficiency was observed as a function of inhibitor concentration. The adsorption of all the compounds on to the carbon steel surface in the acidic solution was found to obey the Tempkin's adsorption isotherm. The values of activation energy and free energy of adsorption for all the compounds were also calculated. Polarization measurement revealed that the studied thiosemicarbazides act predominantly as mixed inhibitors in both the acid solutions, with the exception of DPT, which predominantly behaved as a cathodic inhibitor in 1N HCl.

These inhibitors could have application in industries, where hydrochloric and sulphuric acid solution are used to remove scale and salts from steel surfaces, such as acid cleaning of tankage and pipeline, and may render dismantling unnecessary.

This paper reveals that thiosemicarbazides can be successfully used for protection of carbon steel corrosion in acid solutions.

To appraise the inhibiting effect of Ocimum basilicum extract on aluminium corrosion in 2 M HCl and 2 M KOH solutions, respectively, at 30 and 60°C.

Corrosion rates were determined using the gas‐volumetric technique and the values obtained in absence and presence of extract was used in calculation of the inhibition efficiency. The mechanism of inhibition was estimated from the trend of inhibition efficiency with temperature.

Ocimum basilicum extract was found to inhibit aluminium corrosion in the acidic and alkaline environments. Inhibition efficiency increased with extract concentration but decreased with rise in temperature, suggesting physical adsorption of the organic matter on the metal surface. These results were corroborated by kinetic and activation parameters for corrosion and adsorption processes evaluated from the experimental data at the temperatures studied. Halide additives synergistically improved the inhibition efficiency of the extract.

This paper provides new information on the possible application of Ocimum basilicum extract as an environmentally friendly corrosion inhibitor. The mixed extract – iodide formulation provides an effective means for retarding aluminium corrosion even in highly aggressive alkaline environments.

The purpose of this paper is to study methyl green dye (MG) as a corrosion inhibitor for low carbon steel (LCS) in hydrochloric acid (1 M) and sulphuric acid (0.5 M) and to assess the effect of temperature variation and halide additives on the inhibition efficiency.

Corrosion rates are monitored using the gravimetric technique. Inhibition efficiency is determined by comparing the corrosion rates in the absence and presence of additives. Attempts are also made to elucidate the inhibition mechanism from the trend of inhibition efficiency with change in temperature and type of acid anion.

MG reduces the corrosion rate of the LCS specimens in both acid media within the investigated temperature range by adsorption at the metal/solution interface. Inhibition efficiency increases with MG concentration but decreases with rise in temperature. Maximum values of 67 and 73 per cent are obtained in 1 M HCl and 0.5 M H₂SO₄, respectively, at [MG]=0.001 mol dm⁻³. Halide additives increase the inhibition efficiency mainly in the sulphuric acid medium.

The inhibiting effect of MG is studied within a fixed concentration range, which can be expanded for further studies. The same applies to the effect of halide additives. Also, the dye structure can be modified by introducing different functional groups, and the effect on inhibition efficiency is investigated.

The research findings can find practical application for corrosion control in aqueous acidic environments.

This paper provides new information on the application of MG for corrosion inhibiting purposes. The experimental results form part of an extensive database on the corrosion inhibiting characteristics of organic dyes.

The purpose of this paper is to investigate the effect of Raphia hookeri exudate gum and halide ions on the corrosion inhibition of aluminium in HCl solutions at 30‐60°C and to study the mechanism of action.

The corrosion rates were determined using the gravimetric (weight loss), gasometric (hydrogen evolution) and thermometric techniques. The results obtained in the absence and presence of Raphia hookeri, halides and Raphia hookeri – halides combination were used to calculate the inhibition efficiency (%I), degree of surface coverage and to propose the mechanism of inhibition and type of adsorption.

Results obtained showed that the Raphia hookeri exudates gum acted as an inhibitor for aluminium corrosion in acidic environment. Inhibition efficiency (%I) increased with increase in concentration of the Raphia hookeri exudates gum and synergistically increased to a considerable extent on the addition of halide ions. The increase in inhibition efficiency (%I) and surface coverage (θ) in the presence of the halides was found to be in the order I⁻ > Br⁻ > Cl⁻ which indicates that the radii as well as electronegativity of the halide ions play a significant role in the adsorption process. Raphia hookeri exudates gum obeys Freundlich, Langmuir and Temkin adsorption isotherms. Phenomenon of physical adsorption is proposed from the values of kinetic/thermodynamic parameters obtained. The values of synergism parameter (S_I) obtained for the halides are greater than unity suggesting that the enhanced inhibition efficiency of the Raphia hookeri caused by the addition of the halide ions is only due to synergistic effect.

Electrochemical studies such as polarization and AC impedance spectra will throw more light on the mechanistic aspects of the corrosion inhibition and more exudate gums need to be evaluated as corrosion inhibitors.

Raphia hookeri exudate gum can be used as corrosion inhibitor and the addition of halides to it improves the inhibition efficiency considerably.

This paper provides new information on the use of exudate gums as corrosion inhibitors and addition of halides in acidic medium. This environmentally friendly inhibitor could find possible applications in metal surface anodizing and surface coatings.

To investigate the efficacy of Telfaria occidentalis extract as a corrosion inhibitor for mild steel in 2 M HCl and 1 M H₂SO₄ solutions, respectively, and to assess the effect of temperature and halide additives on the inhibition efficiency.

Corrosion rate was monitored by careful volumetric measurement of the evolved hydrogen gas at fixed time intervals. Inhibition efficiency was determined by comparing the corrosion rates in the absence and presence of additive. Attempts were made to elucidate the inhibition mechanism from the trend of inhibition efficiency with temperature. The adsorption mode of inhibiting species in the extract was assessed by considering the influence of both acid and halide ions on inhibition efficiency.

Telfaria occidentalis extract inhibited mild steel corrosion in 2 M HCl and 1 M H₂SO₄ solutions. Inhibition efficiency increased with extract concentration but decreased with rise in temperature. Synergistic effects increased the efficiency of the extract in the presence of halide additives in the order KCl<KBr<KI. Protonated species in the extract composition played a vital role in the inhibiting action.

This paper provides new information on the inhibiting characteristics of Telfaria occidentalis extract under the specified conditions. This environmentally friendly inhibitor could find possible applications in metal surface anodising and surface coatings.