Corrosion Inhibition Of Mild Steel Research Articles

Synthesis and characterization of a new eco-friendly dopamine derivative schiff base as an effective corrosion inhibitor for mild steel in acidic environment

The natural corrosion inhibitor behaviour of a newly synthesized dopamine derivative Schiff base (4-DBAB) has been inspected on mild steel in aggressive 1 M HCl using linear polarization, electrochemical impedance spectroscopy and potentiodynamic polarization techniques. The Schiff base was synthesized by eco-friendly pathway. Characterization of the synthesized new non-toxic inhibitor was performed using FT-IR and 1H-NMR spectroscopy techniques. The anti-corrosive efficiencies at optimum concentration of 4-DBAB inhibitor was 87.4% after 1 h and 98.4% after 120 h by impedance technique in acidic solution. The potential of zero charge of mild steel was also determined to elucidate the inhibition mechanism in the presence of the highest 4-DBAB solution. The atomic force microscopy and field emission scanning electron microscopy researches performed on surface morphology to provide additional support on the interaction between the mild steel surface and 4-DBAB molecules. Adsorption behaviour of the inhibitor was also studied at different durations by experimental inhibition results and showed the Langmuir isotherm involving chemisorption. Highlights A new dopamine-derived Schiff base (4-DBAB) with natural and environmentally friendly corrosion inhibition properties was synthesized. (Synthesis of eco-friendly compound). 4-DBAB demonstrated a high anti-corrosive efficiency after 120 hours in aggressive 1M HCl, as determined by impedance technique. (Exceptional corrosion inhibition). The determination of the potential of zero charge of mild steel provided insights into the inhibition mechanism in the presence of the highest 4-DBAB solution. (Mechanism elucidation). AFM and FE-SEM studies on surface morphology supported the interaction between the mild steel and 4-DBAB molecules, affirming its corrosion inhibition properties. (Surface interaction analysis).

Corrosion inhibition of acid pickling –descaling-cleaning action on mild steel using aqueous hydroxyethyl cellulose

The corrosion inhibition capability of aqueous Hydroxyethyl cellulose (HEC) on mild steel corrosion in 1 M HCl solution proposed for mild steel pickling, industrial cleaning, and descaling was evaluated at different concentrations and immersion times using gravimetric measurement. HEC demonstrated efficiency in mild steel corrosion inhibition with a maximum inhibition efficiency of 87% for a 300 ml acid pickling, industrial cleaning, and descaling solution composed of 20% aqueous solution of 0.01 M HEC and 80% of 1 M HCl solution, within an immersion time of 120 hours. The inhibition efficiency was found to increase with the increase in the concentration of HEC implying that HEC’s inhibition action is concentration and time-dependent. The mechanism of adsorption of HEC was identified to be chemisorption with hydroxyl (-OH) moiety donated to the active sites of mild steel coupled with HEC molecules encapsulation of chloride ions on mild steel surface thus preventing the corrosive action of Cl ions on the mild steel.

Synthesis and evaluation of a novel pyridinyl thiazolidine derivative as an antioxidant and corrosion inhibitor for mild steel in acidic environments

A new synthesized (Z)-2-((3,5-dichloropyridin-2-yl)imino)thiazolidin-4-one (DICPT) was evaluated as an antioxidant and a corrosion inhibitor for mild steel (M.STL) in a 0.5 M HCl solution. The antioxidant activity of newly synthesized DICPT was screened using a DPPH assay, and the results showed that DICPT has good antioxidant activity. Electrochemical assessments were conducted utilizing potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). A new compound, DICPT, was synthesized, and its chemical structure was established and validated through various spectroscopic techniques, including including infrared (FTIR), nuclear magnetic resonance (NMR), and mass spectroscopy. PDP measurements revealed DICPT to be a mixed-type inhibitor. Charge transfer resistance (Rct) increased when inhibitor concentrations increased, according to EIS tests. The inhibition efficiency (%I) showed a corresponding rise with increasing inhibitor concentration, peaking at approximately 94.2 % at 3 × 10−5 M. Langmuir’s adsorption isotherm was found to govern the preferred adsorption mode of DICPT molecules onto the metal surface. UV–visible spectra confirmed the chemical interaction between DICPT molecules and the M.STL surface. AFM investigation indicated the formation of a protective layer on the metal surface, shielding it from corrosive environmental factors. Quantum chemical calculations were compared to experimental results to learn more about how corrosion is stopped and how well it works. Our study demonstrates the innovation of DICPT as a dual-function compound, offering both antioxidant and corrosion protection properties. This research contributes to the development of effective corrosion inhibitors for industrial applications.

Corrosion inhibition of mild steel by Praecitrullus fistulosus (tinda fruit and peel) extracts

Metal corrosion has recently emerged as a growing concern, impacting both local and industrial operations and disrupting conventional production methods. The utilization of green inhibitors to mitigate the metal degradation has garnered extensive attention from researchers and industrial professionals due to their prominent advantages: high efficiency, cost-effectiveness, and eco-friendliness. A novel ecofriendly inhibitor was prepared from Praecitrullus fistulosus (tinda fruit and peel) for mild steel (MS) corrosion in 1 M HCl. The presence of phenol, 3,5-bis (1,1-dimethyl ethyl)-, 9-octadecenoic acid, methyl ester, hexadecanoic acid 15-methyl-, methyl ester, 9, 12-octadecadienoic acid, methyl ester, 9, 12, 15-octadecatrienoic acid, methyl ester, (Z,Z,Z-), ascorbic acid, and phytol were identified as major constituent through LC/MS analysis of tinda extracts. The existence of these compounds was further confirmed through FTIR analysis, which shows the presence of various functional groups, such as -OH, CO, C-O-C, CC, and aromatic rings in the tinda extracts. Electrochemical and gravimetric analyses were used to investigate the inhibitory effect of tinda extracts. Outcomes of Tafel analysis revealed that both tinda extracts significantly reduced the corrosion current as compared to blank and achieved 83.73 % and 87.59 % inhibition efficiencies at 200 mg L−1 of tinda peel extract (TPE) and tinda fruit extract (TFE), respectively. The change in corrosion potential (Ecorr) was within an ±85 mV range compared to that of the uninhibited system, indicating that both tinda extracts demonstrated a mixed-type inhibition behavior. During adsorption studies, the best fit was obtained for the Langmuir adsorption model. The obtained values of standard Gibbs free energy (ΔG°ads) for TPE and TFE lie between −20 and − 40 kJ mol−1 but close to −20 kJ mol−1, which reveals preferential physical adsorption of the extracts on the metal surface. Thermodynamic parameters, including activation energy, enthalpy, and entropy, were computed across the temperature range of 303 to 323 K, suggesting that corrosion occurs spontaneously by the endothermic process. FESEM analysis depicted that inhibited systems exhibited smooth and crack-free surfaces as compared to blank system. AFM images demonstrated that surface roughness was significantly reduced for the inhibited system. In EDX analysis, the weight percentage of Cl was reduced in the presence of tinda extracts as compared to blank, and in XRD analysis, iron chloride (FeCl2) peak did not appear in the presence of inhibitor but it was in the uninhibited system. All surface-related findings signify that tinda extracts are adsorbed on the MS surface and form a protective layer that separates the metal from the corrosive solution.

Experimental and theoretical investigation of novel ammonium-derived dihydroxyl ionic liquid as corrosion inhibitor for mild steel in 1 M HCl: Effects of dihydroxyl and head groups

A novel ammonium-derived dihydroxyl ionic liquid ([C16DPOA]Br) and a control ionic liquid ([C16DPA]Br) are synthesized to reveal the effect of dihydroxyl and head groups on their inhibition property via the weight-loss method, surface analysis, electrochemical measurements, and adsorption isotherm studies. [C16DPOA]Br exhibits the optimal inhibition ability (93.47 %) for mild steel in 1 M HCl in contrast to [C16DPA]Br (88.03 %) and the traditional cationic surfactant CTAB (92.34 %). Based on the experimental results, it can be inferred that the short alkyl chain (propyl) impedes the tight alignment of [C16DPA]Br on the metal surface and the interactions between hydroxyl and iron atoms enable [C16DPOA]Br to overcome the negative effects of the short alkyl chain on the inhibition property. Finally, molecular electrostatic potential (MEP) distribution and molecular dynamics (MD) simulation verify the reactive sites and adsorption capacity of corrosion inhibitors from the microscopic scale, which further confirms the proposed mechanism. This study focuses on the significance of dihydroxyl and head groups on the inhibition property and provides unique insights into the development of efficient ionic liquid corrosion inhibitors.

Synthesis and Application Insights of New Phosphate Materials A2MnP2O7 (A = Na, K, Li) as Corrosion Inhibitors

This study comprehensively characterizes synthesized phosphate materials, specifically A2MnP2O7 (where A represents Na, K, or Li), utilizing the X-ray diffraction (XRD) and infrared (IR) spectroscopy techniques. The XRD results corroborate the crystalline nature of these compounds, while the IR spectra disclose pivotal structural characteristics, including the bent geometry of the POP bridge. A significant observation is the mismatch of specific IR bands, suggesting a non-centrosymmetric arrangement in the A2MnP2O7 crystal lattice. The synthesized materials were evaluated as corrosion inhibitors for mild steel (MS) in 3 wt.% NaCl. Electrochemical assessments indicate that these materials act as mixed-type inhibitors, demonstrating high inhibition efficiencies (η%), reaching peak values of 88.3% for Na2MnP2O7, 87% for K2MnP2O7, and 86.7% for Li2MnP2O7 at a concentration of 10−3 mol/L. The study also elucidates the thermodynamic and kinetic parameters dictating the inhibition phenomena. Additionally, scanning electron microscopy (SEM) was employed to examine the surface morphology of mild steel in the presence of these inhibitors.

Comparison of dodecyl trimethyl ammonium bromide (DTAB) and cetylpyridinium chloride (CPC) as corrosion inhibitors for mild steel in sulphuric acid solution

Two essential cationic surfactants, dodecyl trimethyl ammonium bromide (DTAB) and cetyl pyridinium chloride (CPC) with differences in the alkyl chain, were investigated as corrosion inhibitors on mild steel (MS) in 0.5 M H2SO4 with weight loss (WL) and the potentiodynamic polarization (PDP) method. Three different temperatures were used to maintain the reported sample solutions (298.15, 308.15, and 318.15 K) for concentrations ranging below, above, and at the optimum critical micelle concentration (CMC) of the cationic surfactants. Results show that 0.5 M DTAB having ammonium group gave higher inhibition efficiency than 0.5 M CPC having pyridinium group by PDP method. The inhibition efficiencies were determined as 98.6% for 0.5 M DTAB and 89.38% for 0.5 M CPC after 24 h immersion at 298.15 K. The extreme inhibition efficiency depends on the chain length and decreases with an increase in temperature as well as increases with the addition of concentration of cationic surfactants. Around CMC, both surfactants CPC and DTAB showed the highest inhibition efficiency which follows the isotherm of Langmuir adsorption and illustrates a mixed type of corrosion inhibitors with the predominance of cathodic reactions. Additionally, the proposed mechanisms of inhibitors showing both physical and chemical adsorption confirmed by the free energy of adsorption (-ΔGads0) for DTAB were >28–34.5 kJ/mol and for CPC were >31.07–42.91 kJ/mol.

Isoindigo derivatives as some potential corrosion inhibitors for mild steel in hydrochloric acid solution: synthesis, experimental and theoretical studies

Isoindigo derivatives as some potential corrosion inhibitors for mild steel in hydrochloric acid solution: synthesis, experimental and theoretical studies

Zwitterion modified chitosan as a high-performance corrosion inhibitor for mild steel in hydrochloric acid solution

Herein, a novel chitosan Schiff base (CS-FGA) as a sustainable corrosion inhibitor has been successfully synthesized via a simple amidation reaction by using an imidazolium zwitterion and chitosan (CS). The corrosion inhibition property of CS-FGA for mild steel (MS) in a 1.0 M HCl solution was studied by various electrochemical tests and physical characterization methods. The findings indicate that the maximum inhibition efficiency of CS-FGA as a mixed-type inhibitor for MS in 1.0 M HCl solution with 400 mg L−1 reaches 97.6 %, much much higher than the CS and the recently reported chitosan-based inhibitors. Scanning electron microscopy (SEM), atomic force microscopy (AFM), and water contact angle (WCA) results reveal that the CS-FGA molecules firmly adsorb on the MS surface to form a protective layer. The adsorption of CS-FGA on the MS surface belongs to the Langmuir adsorption isotherm containing both the physisorption and chemisorption. According to the X-ray photoelectron spectroscopy (XPS) and UV–vis spectrum, FeN bonds presented on the MS surface further prove the chemisorption between CS-FGA and Fe to generate the stable protective layer. Additionally, theoretical calculations from quantum chemical calculation (DFT) and molecular simulations (MD) were performed to reveal the inhibition mechanism of CS-FGA.

Self-forming barrier layer for carbon dioxide corrosion protection of mild steel in NaCl solution containing hydroxychavicol isolated from Piper betle L. leaf

Hydroxychavicol compound was isolated from Piper betle L. leaf and identified via preparative high performance liquid chromatography (Prep-HPLC) and nuclear magnetic resonance (NMR) spectroscopy. Hydroxychavicol compound was demonstrated to be a potential inhibitor for mild steel corrosion in carbon dioxide-containing environments. This is due to the formation of a barrier layer on the steel surface. Scanning electron microscopy and atomic force microscopy results indicated that the inclusion of hydroxychavicol in the aggressive environment made steel surfaces more homogeneous and smoother with a rough mean square roughness of 7.78 nm, whereas the steel surface was severely corroded in the blank solution. Moreover, X-ray photoelectron spectroscopy results showed an enrichment of hydroxychavicol species combined with iron oxides and hydroxides on the mild steel surface. This can lead to the creation of a protective layer on the mild steel surface, thereby enhancing corrosion protection and localized inhibition. The work suggested a novel approach to isolate corrosion inhibitors from natural products, particularly agricultural by-products for mild steel in carbon dioxide and chloride ion environment with high inhibition performance.

Experimental and theoretical investigation of 1-Hexyl-3-methylimidazolium iodide as a corrosion inhibitor for mild steel in HCl environment

This study employed 1-Hexyl-3-methylimidazolium iodide to mitigate the corrosion of Q235 steel in a hydrochloric acid environment. The evaluation of corrosion inhibition effectiveness was comprehensively characterized by combining electrochemical experiments with surface morphology observation. The experimental results demonstrated the capability of the ionic liquid in establishing a film layer on the surface of Q235 steel, which effectively hindered the charge transfer process. Notably, the corrosion inhibition efficiency attained a value of 92.3% at a concentration of 1mM corrosion inhibitor. Moreover, the process of the corrosion inhibitor adhering to the steel surface aligns with the Langmuir isotherm, demonstrating physicochemical adsorption behavior. The density functional theory (DFT) and molecular dynamics (MD) simulation were utilized for further exploration of the corrosion inhibition mechanism, and the results indicate the ionic liquid can be adsorbed onto the (110) surface of Fe in parallel through N atoms on the imidazole ring.

Corrosion inhibition of two tetracycline‐based expired antibiotics as eco‐friendly inhibitors for mild steel in 1M HCl solution

AbstractTwo expired Tetracycline‐based antibiotics (Oxytetracycline and Tetracycline) were utilized as eco‐friendly corrosion inhibitors for mild steel in 1M HCl solution, employing weight loss analysis, electrochemical measurements, scanning electron microscopy, and so on. The effect and mechanism were discussed using thermodynamic modeling, quantum chemical calculation, molecular dynamics simulation, and so on. The corrosion inhibition rate (η) increases with higher concentration and temperature, leading to reduced heat absorption and increased order degree. The of Oxytetracycline and Tetracycline was 96.14% and 97.92% at 323.15 K of 2 × 10−4 mol L−1, respectively. The key factors affecting η in the kinetic model parameters vary at lower concentrations. Both of them belong to cathodic corrosion inhibitors and undergo Langmuir spontaneous adsorption processes involving both physisorption and chemisorption. The disparity in energy levels between the highest occupied molecular orbital and lowest unoccupied molecular orbital, global hardness, electronegativity, molecular polarizability, dipole moment, and transfer electron number are key factors that enhance a corrosion inhibitor's ability to adsorb chloride ions.

Optimization and Predictive Modelling of Gravimetric Corrosion Characteristic of Irvingia Gabonensis Leaves Extracts as Anti Corrosion Inhibitor of Mild Steel in HCl Solution

 In this research, the optimization and predictive modeling of gravimetric corrosion characteristics of Irvingia gabonensis leaf extracts (IGLE) as an anti-corrosion inhibitor of mild steel in hydrochloric acid were investigated. Design expert software version 11 were used to analyze the corrosion inhibition-related process characteristics, such as inhibition efficiency, corrosion rate, and weight loss, and their relationships. An effort were made to obtain the optimal conditions for these corrosion inhibition-related process characteristics. Weight loss measurement and design methodology were used for the evaluation of the inhibition efficiency of IGLE for mild steel in HCl. The corrosion inhibition process variables were optimized and predictive regression models were developed using Box-Behnken tool of the Response Surface Methodology (RSM). The findings showed that there were a good fit between the model predictions and the experimental results. The quadratic models developed were significant with P value less than 0.05.  The research established an inhibition efficiency of 88.9%, a corrosion rate of 0.143mm/yr, and a weight loss of 0.02 g, which were obtained at the optimum conditions of an extract concentration of 0.6 g/L, an immersion time of 16 hrs, and a temperature of 298K.Therefore, the models were considered ideal for prediction with a confidence level of 95%, and the optimal combination is suitable for the corrosion inhibition process design. Hence these models can be recommended for applications such as oil well acidizing and pickling pipelines.

Electrochemical analysis of corrosion inhibition shallot leaf (Allium cepa) extract on mild steel in acidic medium at different immersion times

Plant derivatives as eco-friendly corrosion inhibitors are currently greatly interested in much research. Shallot leaf (Allium cepa) was utilized in 0.1M HCl as a corrosion inhibitor of mild steel. The functional groups present in the macerated extract were subsequently identified using an FTIR test. Electrochemical tests such as tafel polarization and EIS were carried out to determine the corrosion inhibition performance of shallot leaf extract on the SS400 steel. The results of the electrochemical analysis show that shallot leaf extract can inhibit mild steel up to 94% at a concentration of 500 ppm. Furthermore, the addition of SLE reduces surface damage of mild steel, which can be seen by SEM.

Experimental Study on Adsorption and Corrosion Inhibition Properties of <i>Urena lobata</i> Leaves Extract on Mild Steel in Acidic Medium

The corrosion inhibitive effect of <i>Urena lobata</i> leaves extract on mild steel in 1M HCl solution was investigated via gravimetric, Electrochemical and Surface analyses. Adsorption isotherms were investigated using the Langmuir and Freundlich plots. Phytochemicals of the extract were investigated using Gas Chromatography-Mass Spectrometric (GC-MS) technique. The effect of the leaves extract through immersion time, temperature and concentration on the corrosion inhibition were obtained. The results obtained showed that the increase in extract’s concentration increased the inhibition efficiency and the protection was more on the surface of the metal at lower temperature. Maximum inhibition efficiency of 95.8% was obtained at 2.5g/L extract concentration. Corrosion rate of mild steel increased with temperature increase in the acidic solution. The adsorption process reduced as temperature increased thereby indicating physisorption. The Langmuir isotherms gave the best fit indicating chemisorption. Physical adsorption was confirmed for the leaves extract from observations of inhibition efficiency with temperature, activation energy and enthalpy of adsorption values. Hence indicating that the plant extract has mixed properties. The electrochemical results confirmed the inhibitory ability of the plant extract. The inhibition efficiencies (% IE) were attributed to the phytochemical components (alkaloids, saponins, flavonoids, tannins, cynagenic glycosides) present in the extract. The extracts of <i>Urena lobata</i> are effective corrosion inhibitors of mild steel.

Unveiling the potent corrosion-inhibiting power of Ammophila arenaria aqueous extract for mild steel in acidic environments: An integrated experimental and computational study

Plant extracts have emerged as potent inhibiting compounds for metallic corrosion, offering numerous advantages including simple accessibility, low toxicity, eco-friendliness, biocompatibility, effectiveness, and renewability. In this study, the potential of Ammophila arenaria extract as a green corrosion inhibitor for mild steel in 1.0 M HCl over the concentration range of 25–700 ppm was evaluated, using various electrochemical analyses such as Open circuit potential (OCP), potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS). Results revealed a notable reduction in the corrosion rate of steel, particularly at 700 ppm, where Ammophila arenaria extract demonstrated its highest inhibition efficiency, reaching 83.67% for polarization and 84.32% for EIS. The cathodic and anodic polarization curves indicated that the aqueous extract of Ammophila arenaria functions as a mixed-type inhibitor. The thermodynamic analysis revealed a negative Gibbs free energy value (∆Gads°), suggesting spontaneous physisorption as the predominant adsorption mechanism. To delve into the inhibition mechanism at the molecular level, the surface morphology of mild steel exposed to 1.0 M HCl solutions, both in the absence and presence of Ammophila arenaria aqueous extract, was scrutinized through Scanning Electron Microscopy (SEM) and Atomic Force Microscopy (AFM). Theoretical techniques, including Quantum Calculation Theory, Non-Covalent Interaction (NCI), and Atom In Molecule (QTAIM), were concurrently employed, providing valuable insights into molecular-level interactions. Remarkably, the computational studies complemented and corroborated the experimental data. These comprehensive results significantly contribute to the understanding of Ammophila arenaria extract's corrosion inhibiting properties, endorsing its potential as a sustainable and environmentally friendly corrosion inhibitor suitable for diverse industrial applications. The synergistic integration of experimental and computational approaches establishes a robust foundation for future endeavors in the field of green corrosion inhibitors.

Excellent performance of amoxicillin and potassium iodide as hybrid corrosion inhibitor for mild steel in HCl environment: Adsorption characteristics and mechanism insight

Combining inhibitors is a key strategy to increase inhibitory efficacy because of synergistic effects. In this study, a green pharmaceutical inhibitor, amoxicillin (AML), was screened and compounded with potassium iodide (KI) to successfully obtain a synergistic and highly efficient green inhibitor. The results revealed that AML/KI have excellent anticorrosion ability for Q235 steel in 1 M HCl medium. At the optimal concentration ratio of 2 mM AML +5 mM KI, the inhibition efficiency was up to 97.7%, which was significantly higher than that of AML alone (57.4%). The hybrid inhibitor remarkably hinders the corrosion process by inhibiting both the cathodic and anodic reactions. Scanning electron microscopy, electron dispersive spectroscopy, contact angle measurement, ultraviolet–visible spectrometry and X-ray photoelectron spectroscopy, as well as Fourier transform infrared spectroscopy, results further confirm the outstanding inhibitory effect and the formation of synergistic adsorption films. Through density functional theory (DFT) calculations, we discovered that the KI salt significantly enhances the adsorption characteristics of AML/KI on the Fe surface, which is consistent with the experimental findings. This research paves the way for a new breed of green hybrid corrosion inhibitors to be created.

Corrosion inhibition of mild steel in acidic environments: Mechanistic insights and protective effects of azo-cum inhibitor

An examination was conducted on a newly developed compound named N1-(coumarin-7-yl) amidrazone (Azo-Cum) to assess its impact on the corrosion of mild steel (MS) in a 1 M hydrochloric acid (HCl) solution. Various analytical techniques, including weight loss, potentiodynamic polarization (PDP), impedance spectroscopy (EIS), cyclic voltammetry (CV), UV–visible spectroscopy, scanning electron microscopy (SEM), and AFM, were employed to evaluate the inhibitory efficiency of the compound. The findings indicated that inhibition efficiency rose with higher concentrations but decreased with elevated temperatures. According to weight loss analysis, the optimal concentration of the new eco-friendly inhibitor (5 ×10−4 M) exhibited a maximum efficiency of 89.26%. Polarization studies disclosed that Azo-Cum acted as a mixed-type inhibitor with a cathodic predominance. The adsorption of the inhibitor on the MS surface followed the Langmuir adsorption isotherm. Additionally, the study explored the synergistic effect of Azo-Cum in combination with KI on MS corrosion in a 1 M HCl (Blank) solution using potentiodynamic polarization measurements. The results identified concentration ranges that demonstrated antagonistic inhibition. Density functional theory (DFT) and molecular dynamic simulation (MD) calculations were performed to investigate the correlation between molecular and chemical reactivity.

Mechanistic insights into the corrosion inhibition of mild steel by eco-benign Asphodelus Tenuifolius aerial extract in acidic environment: Electrochemical and computational analysis

This study explores the novel application of Asphodelus Tenuifolius aerial extract (ATAE) as a corrosion inhibitor for mild steel in a 0.5 M HCl acidic environment. By utilizing techniques such as electrochemical measurements, gravimetric analysis, SEM, and CA assessments, the inhibitory potential of ATAE has been comprehensively evaluated. The results revealed a concentration-dependent enhancement in corrosion resistance, classifying ATAE as a mixed-type inhibitor by measuring the anodic (βa) and cathodic (βc) polarization slope values of 108.89 and −129.33 mV/dec. The peak inhibition efficiency was observed at 250 ppm, reaching an impressive IE% of 94.40 % at 298 K (Kelvin). The electrochemical analysis demonstrated a significant increase in charge transfer resistance (Rct) and polarization resistance (Rp) values, coupled with a decrease in Constant Phase Element (CPE.Yo) value to 162.94 μF, indicating heightened corrosion inhibition potential. Additionally, Theoretical calculations emphasized a strong interaction between ATAE and mild steel surface, characterized by a low energy gap (ΔE), indicating excellent anti-corrosion abilities at the micro-level. This study positions ATAE as a promising corrosion inhibitor, offering insights for further research in corrosion prevention strategies using a sustainable corrosion inhibitor.

Harnessing machine learning and virtual sample generation for corrosion studies of 2-alkyl benzimidazole scaffold small dataset with an experimental validation

The present work deals with the development of a QSAR model based on Artificial Neural Network (ANN) algorithm for the prediction of inhibition efficiencies of 2-alkyl benzimidazole scaffold-based corrosion inhibitors for mild steel corrosion in 1 M HCl. The small dataset problems have been dealt with a Virtual Sample Generation (VSG) methodology using CTGAN algorithm, and credibility and generalizability of the proposed ANN+VSG model has been verified through experimental validation. Two new 2-alkyl benzimidazole scaffold-based corrosion inhibitor compounds namely EBIMOT and PBIMOT, were synthesised, their inhibition efficiencies were experimentally obtained, and the values showed a high resemblance with the predicted one by the model with good accuracy. Synthetic data embedding to the training samples enhances the model's recognition capacity of feature-target relationship and hence stabilizing and improving the correlation of the chemical quantum descriptors with the inhibition efficiency. This proposed method strengthens the prospect of ML for developing material designs, especially in the case of small datasets at a much cost-efficient, user-friendly, and accurate manner and can open doors to new and unexplored venues in the intersection of material science and computational intelligence.