Corrosion Inhibition Efficiency Research Articles

Advancing steel protection with Ceria@Talc-8-hydroxyquinoline modified Polyurethane coatings

This research delves into a hybrid framework involving the synthesis of composite particles combining ceria-modified talc (CeO2@Talc) through a chemical precipitation method. The hybrid particles were then loaded with 8-Hydroxyquinoline (8-HQ) to serve as a corrosion inhibitor. The resulting CeO2@Talc-8HQ hybrid particles were subsequently incorporated into a polyurethane (PU) matrix and deposited on steel substrate to investigate and assess their barrier properties. The synthesized particles and developed coatings were characterized in detail utilizing various techniques. The Brunauer–Emmett–Teller (BET) results showed a decrease in the specific surface area and pore volume of modified particles as compared to that of pristine talc. These results demonstrated the successful loading and modification of the particles. The thermal gravimetric analysis (TGA) results showed excellent thermal behavior with only 2 % weight loss beyond 900 °C of the modified CeO2@Talc particles. The potentiodynamic polarization results represented 76.28 % increase in the corrosion inhibition efficiency in the presence of the modified particles. When these modified hybrid particles were reinforced (1.wt%) into the PU matrix, they exhibited an impressive impedance modulus of 56.14 GΩ.cm2 at 0.01 Hz, outperforming blank PU coatings which showed 0.002 GΩ.cm2 after four weeks of immersion in a 3.5 wt% saline solution. The incorporation of modified particles into the PU matrix results in significant improvements in various observed parameters such as the lowest break point frequency, damage index, and intersection frequency of the bode plot. These positive outcomes indicated that the modified coatings efficiently blocked the micropores of the PU matrix, preventing the diffusion of electrolytes into the coatings. Overall, this study not only introduced a novel structural design for superior corrosion mitigation but also demonstrated promising potential of corrosion protection for industrial applications.

Solution‐Processed Nanocoating of Ca2Nb3O10 and Polydopamine for Anticorrosion on Magnesium Alloy

Two‐dimensional (2D) materials have exhibited great potential for applications in anticorrosion nanocoatings. However, the nanocoating of prefocused graphene shows “corrosion‐promoting activity” due to its high conductivity. Metal oxide nanosheets obtained by chemically exfoliated layered oxides have been another attractive candidate. This study demonstrates a water‐based Ca2Nb3O10 (CNO) ink spray‐coated on magnesium alloys to form a continuous coating without complex functionalization and structural control. The composite coating of Ca2Nb3O10 (CNO) and polydopamine (PDA) is fabricated by combining spray and dip coating methods. The surface composition and microstructure of the as‐prepared coatings are characterized by X‐ray diffractometry (XRD), Fourier transform infrared (FTIR), X‐ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and energy dispersive spectrometry (EDS). The anti‐corrosion performance of the composite coating is evaluated by potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and salt spray tests. The electrochemical results show that the CNO/PDA heterostructure coating provides an enhanced corrosion inhibition efficiency (99.62%) with a corrosion current density of 5.49×10‐7 A·cm‐2, three orders of magnitude lower than bare AZ31. The immersion tests before and after heat treatment and salt spray tests indicate that the composite coating has good stability and long‐term anticorrosion performance. Solution‐processed nanocoating and extensible materials design provide a green and facile route to anticorrosion nanotechnology for industrial demands.This article is protected by copyright. All rights reserved.

Efficiency of Volatile Corrosion Inhibitors in the Presence of n-Heptane: An Experimental and Molecular Simulation Study

ABSTRACT Volatile corrosion inhibitors (VCIs), specifically formulations based on thiols and amines, can be used to mitigate top-of-the-line corrosion (TLC) that arises during the transportation of wet gas through transmission pipelines. Nevertheless, the VCI inhibition efficiency can be compromised by the presence of condensable hydrocarbon phases. In this research, the inhibition efficiency of two thiol compounds (decanethiol and hexanethiol) and three combinations of VCIs for TLC scenarios, both in the presence and absence of n-heptane, representing a condensing hydrocarbon phase were studied. The results proved the inhibition efficiency of thiols in a water-only condensing environment, with effectiveness increasing with the alkyl tail length. Conversely, in a water/n-heptane co-condensing environment, a reversed trend was observed, where hexanethiol exhibited higher corrosion inhibition efficiency compared to decanethiol. Molecular simulation results indicated a synergistic adsorption behavior when the alkane was of a similar length as the alkyl tails of the inhibitors, leading to the incorporation of alkane molecules with the inhibitor molecules. A mixture of thiols (decanethiol and hexanethiol) and two mixtures of thiol and amines (decanethiol and diethylamine/t-butylamine) were also considered in both water-only and water/n-heptane co-condensing environments. In the presence of n-heptane, only the thiol mixture, featuring molecules with different tail lengths, demonstrated high inhibition efficiency. This behavior was attributed to the superior inhibition efficiency provided by thiol-based molecules with a shorter alkyl tail (hexanethiol) in the presence of n-heptane. Additionally, the results revealed that the mixtures of decanethiol and amines did not enhance corrosion inhibition in the presence of n-heptane within the system.

Theoretical Study and Virtual Screening of Nitrogen‐Containing Corrosion Inhibitors Based on Quantitative Structure–Activity Relationship

AbstractNitrogen‐containing corrosion inhibitors have a wide range of promising applications, and current conventional corrosion design and evaluation methods are largely based on empirical speculation and extensive exploratory experiments. Unfortunately, these efforts are often associated with high costs, long lead times, and a lot of “blind work.” In this work, we have computationally screened the quantum chemical parameters of five nitrogen‐containing corrosion inhibitor molecules and their corrosion inhibition properties by a molecular simulation method based on density functional theory calculations. The ultimate relationship between the corrosion inhibition efficiency (IE) of an adsorbent and its quantum chemical parameters was analyzed using linear regression by comparing the various quantum mechanical parameters of each inhibitor molecule, as well as the fraction of electrons (ΔN) that are transferred to the metal surface from the chemisorbed inhibitor molecule. Five different nitrogen‐containing corrosion inhibitor molecules were screened based on structural similarity. Meanwhile, their corrosion inhibition performance was evaluated using the most relevant structure–activity equations. The results showed that the synergistic effect between the corrosion inhibition performance and the orbital energies of highest occupied molecular orbital and lowest unoccupied molecular orbital was optimal under the HF/6‐31G(d) method, and the corresponding structure–activity relationship was established. Based on these results, a specific inhibitor molecule was found to have excellent corrosion inhibition performance with a predicted corrosion IE of up to 94.12 %.

From trash to treasure: Cattle manure as a potent green corrosion inhibitor

The novelty of this study attributes establishing cattle manure as a potent and sustainable green corrosion inhibitor and identifying organic compounds accountable for the same. A simple and convenient maceration method was used for the extraction of a novel, eco-friendly, low-cost, efficient, and water-soluble green corrosion inhibitor from cattle manure. The inhibitor has been characterized through different spectroscopic, spectrometric, and chemical confirmatory tests. The efficacy of the cow manure extract (CME) in mitigating chloride-induced corrosion on mild steel was evaluated through electrochemical impedance and polarization studies at ambient conditions. Electrochemical corrosion monitoring revealed the sustainability of CME as a highly efficient inhibitor from a low-cost agricultural biowaste. Post-corrosion characterizations demonstrated the substantial film-forming characteristics of the CME. Mass spectrometry of the corrosion products assisted in identifying the phytochemicals contributing significantly to the film formation. This study defines an ecological route for agricultural solid waste management.

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.

Experimental and theoretical investigations of the anti-corrosion film derivated from bio-based melatonin on AA5052 aluminum alloy surface

In this work, the effect of the bio-based melatonin (MEL) on the corrosion inhibition of AA5052 aluminum alloy in 3 wt% NaCl solution has been studied by weight-loss experiments, electrochemical measurements and surface analysis. MEL inhibits the corrosion of AA5052 aluminum alloy in 3 wt% NaCl solution very well, resulting in a positive shift of the corrosion potential and the pitting potential. The corrosion inhibition efficiency reaches 71.76% at 2 mM MEL. The FT-IR, SEM, XPS and theoretical calculation are used to investigate its corrosion inhibition mechanism. It indicates that MEL coordinates with Al3+ ions via its N (9) atom and O (10) atom to form a surface complex film. This protective film retards the corrosion of AA5052 aluminum alloy significantly. This biomolecule is a promising anti-corrosion additive to protect aluminum alloys heat-exchange in seawater desalination plant.

Evaluating the corrosion inhibition efficiency of 5-(4-pyridyl)-3- mercapto-1,2,4-triazole for mild steel in HCl: insights from weight loss measurements and DFT calculations

Evaluating the corrosion inhibition efficiency of 5-(4-pyridyl)-3- mercapto-1,2,4-triazole for mild steel in HCl: insights from weight loss measurements and DFT calculations

H-BN base triple-functional filler enhances the anti-corrosion performance of epoxy coating

The dispersion of hexagonal boron nitride (h-BN) in resin to prepare anti-corrosion coating has only a single physical shielding function, and does not inhibit the electrochemical reaction process, which significantly reduces the durability of anti-corrosion coating. In this paper, polyaniline with anodic passivating function was synthesized on the surface of h-BN by in-situ polymerization, and Ce3+ cation with corrosion inhibition was loaded into polyaniline/h-BN. Thus, a triple functional anti-corrosion filler Ce3+&PANI/h-BN with physical shielding - anode passivation - cathode corrosion inhibition was prepared. The microstructure, crystal form, element distribution, thermal stability and corrosion inhibition ability of the composite filler were characterized. The anti-corrosion, anti-friction and adhesion properties of EP/Ce3+&PANI/h-BN composite coating was investigated. EIS and Tafel test results show that the corrosion inhibition efficiency of Ce3+&PANI/h-BN is 55.5% and 89.67%, respectively. The low-frequency impedance modulus of the composite coating after 40 days of exposure is 13 times that of the pure EP coating, up to 9.79 × 109 ·cm2. The results of salt spray test also show that the barrier ability and anti-corrosion effect of the composite coating are significantly improved compared with the pure EP coating. The wear mass loss of the composite coating is reduced by 43.69% compared with the pure EP coating. This research provides a way to prepare multi-functional, high shielding, wear resistance anti-corrosion fillers to achieve long-term protection of coatings.

Double-layer protection of stainless steel by using triethylammonium-3-silatranylpropyldithiocarbamate as a corrosion inhibitor: Experimental and computational studies

Herein, triethylammonium-3-silatranylpropyldithiocarbamate (Silt-DTC) has been established as an efficient corrosion inhibitor as it has crucial role in industrial production. The potentiodynamic polarisation and electrochemical impedance spectroscopy showed excellent efficiency of Silt-DTC in 1 M HCl solution for preventing corrosion. It chemically binds through the DTC group to steel thus preventing the interaction of Cl− with the surface and the hydrolysis of silatranyl moiety generates a hydrophobic layer on the stainless steel providing a contributory inhibition effect. The adsorption of Sil-DTC on steel surface obeys the Langmuir adsorption isotherm. Quantum chemical calculations have also comprehended the role of Silt-DTC in inhibiting corrosion. Surface analysis of the steel surface by scanning electron microscopy and FTIR have suggested significant protection of the surface and mode of binding of the inhibitor with the surface. The inhibition efficiency was found 93 % at a concentration of 4 g/L as investigated by gravimetric analysis.

Smart epoxy coating: g-C3N4 nanosheets loaded MOFs for enhanced anti-corrosion and UV resistance

Large lateral size g-C3N4 nanosheets (Graphite-like carbon nitride) were successfully prepared by surface polymerization. NH2-MIL-101 (Amino-functionalized iron-based metal–organic framework) was then modified on the surface of g-C3N4 nanosheets (NH2-MIL-101@g-C3N4) by an in-situ loading method to construct a long-term smart coating with high barrier, activity inhibition, and anti-UV aging. This novel approach marks a significant advancement in the development of smart coatings for long-term corrosion protection. Evaluation of the active corrosion inhibition of NH2-MIL-101@g-C3N4 (MCN) nanoparticles showed that the corrosion inhibition efficiency of MCN nanoparticles on carbon steel reached 79.3 % after 5 h. The addition of MCN nanoparticles to the epoxy coatings (MCN/EP) endowed the coatings with the ability to actively inhibit corrosion. The release of Fe3+ cations and NH2-BDC (2-aminoterephthalic acid) organic ligands from MCN at defects formed a protective film, effectively preventing further corrosion. The MCN/EP coating maintained a high Log|Z|0.01 Hz value (Impedance modulus at a frequency of 0.01 Hz) during the immersion period with excellent barrier properties. Notably, MCN significantly improved the water resistance, water contact angle, tensile properties, and thermomechanical properties of epoxy coatings after ultraviolet (UV) radiation, highlighting a remarkable enhancement in the coating's performance. The anti-corrosion of MCN/EP coating was unaffected by UV radiation, extending service life of the smart coating, with Log|Z|0.01 Hz values two orders of magnitude higher than pure EP after 300 h of UV radiation. This work presented innovative coating design and preparation methods to improve the performance and functionality of anti-corrosion coatings, making significant attempts in the field.

Innovative phosphorus-containing epoxy resins: A new approach to acidic corrosion protection

The main challenges in the corrosion field for steel include its high susceptibility to acidic degradation and the need for sustainable and efficient corrosion inhibitors. The main objective was to synthesize a novel phosphorus-containing trifunctional epoxy resin, named phosphoric ester triglycidyl ether hydroquinone (TGEHEP), through a two-step process. Initially, the intermediate known as phosphoric ester trihydroquinone was synthesized. Subsequently, epichlorohydrin was added in the second step to produce the new TGEHEP epoxy resin. For the structural characterization of this compound, FTIR, 1H and 13C NMR were used. These techniques confirmed the final chemical structure of the synthesized macromolecule. The newly developed TGEHEP epoxy resin was subsequently utilized as a protective agent for carbon steel in 1.0 M HCl. This study incorporated various techniques, including PDP, EIS, EFM, DFT, MC, and MD simulations. Additionally, SEM/EDS was applied to examine the surface. These methods allowed us to analyse the surface structure and chemical composition of the sample, providing further insights into the adsorption process and corrosion protection mechanism. Electrochemical test results revealed that the TGEHEP concentration significantly enhanced protection. Notably, EIS demonstrated an outstanding protection efficiency of 96.70% with 10−3 M TGEHEP epoxy resin. The polarization findings also indicate that the resin acts as a mixed inhibitor. In line with the Langmuir isotherm, epoxy resin was effectively used to protect the metal surface. Furthermore, thermodynamic kinetic parameters were estimated to evaluate the adsorption of the inhibitor. TGEHEP showed a greater adsorption energy (-195.05 kcal/mol) than did its protonated form (-178.65 kcal/mol), indicating that the interaction with the iron surface was stronger in its neutral form. A significant increase in the concentration of TGEHEP was detected, reaching a maximum of 762.4 Ω.cm² at a concentration of 10−3 M. This suggests that TGEHEP forms a barrier that impedes electron transfer, a key factor in corrosion processes. The ΔGads is −44.3 kJ/mol, which is within the typical range for chemisorption. This suggests that the adsorption of TGEHEP onto the metal surface includes more than just physical adsorption; it likely involves electron transfer, which is characteristic of a chemisorptive bond. Comparatively, TGEHEP demonstrates superior performance to previously published corrosion inhibitors, with its efficacy not only attributed to its unique chemical structure but also to its environmentally benign nature.

Sulfate-functionalized ternary metal oxide/Polypyrrole nanocomposites: Synergistic enhancement in Photocatalytic, Corrosion inhibition, Magnetic, and Electrical properties

The effect of functionalization of conducting polymer/metal nanocomposites with sulfate functional groups on their physical, chemical, mechanical, optical, and electrical properties was investigated. Vanadium, Manganese, and Zinc oxide nanoparticles were prepared by the modified Sol-gel method. Conducting polymer, Polypyrrole was synthesized by the chemical oxidation method. Polypyrrole + ternary metal oxide nanocomposites were synthesized by in situ technique. The characterization of functionalized nanocomposites was carried by Raman spectroscopy, FTIR, UV–visible, magnetic, SEM, and XRD techniques. The photocatalytic, anticorrosive, magnetic, optical, and electrical properties of functionalized nanocomposites were investigated. The functionalized nanocomposites show 85 % corrosion inhibition efficiency. The functionalized nanocomposites degrade 87 % of the methyl blue dye in 120 min under UV light. The magnetic study shows the paramagnetic character of functionalized nanocomposites. The optical band gap of functionalized nanocomposites decreases to 0.5 eV, showing a high order of conductivity. The sulfate-functionalized ternary metal oxide/polypyrrole nanocomposites show synergistic enhancement in their photocatalytic, electrical, magnetic, and anticorrosive properties.

Electrochemical activities of Ni-Ti alloy in artificial blood plasma with Trigonella foenum graecum seeds

An investigation of the electrochemical behaviour of Ni-Ti alloy when exposed to artificial blood plasma (ABP) in the presence of 0.1 and 0.5 ppm of Trigonella foenum graecum (TFG) seeds for 1, 10, 20, and 30 days. Studies on AC impedance and polarisation have shown that a protective coating forms on the metal surface while inhibiting corrosion. The protective film has formed on the Ni-Ti implant alloy surface, the linear polarization resistance increased (LPR), and the corrosion current value (Icorr) decreased. The charge transfer resistant value (Rct) and impedance value increase and the double-layer capacitance value decrease.The protective layers morphology and the elemental composition were analyzed by SEM/EDAX. The property of the protective film on the Ni-Ti alloy has been examined by atomic force microscope. The X-ray diffraction analysis has confirmed the nature of the apatite. The corrosion inhibition efficiency of Ni-Ti alloy in ABP in the presence of TFG seeds at various concentrations for different times was improved and protected.

NanoGuard: Antibacterial marvels of strontium titanate – Synthesis, characterization, and multifunctional insights

This study presents a comprehensive exploration into the synthesis and multifaceted characterization of strontium titanate (ST) nanopowder via the solution combustion method. The investigation delves into the photoluminescent properties, electrochemical behaviors assessed through potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS), as well as antibacterial characteristics of the synthesized nanoproduct. Through meticulous analysis involving powder X-ray diffraction (PXRD), Field emission scanning electron microscopy (FESEM), Transmission electron microscopy (TEM), Fourier-transform infrared spectroscopy (FT-IR), and UV–visible spectroscopy (UV–vis), ST nanoparticles revealed intriguing features. PXRD unveiled a cubic crystal structure with a crystallite size of ∼ 11 nm, showcasing a crystallinity of 89.23. FESEM, UV–visible spectroscopy, and FT-IR studies uncovered irregularities in size, band gap properties, and the formation of M−O bonds within ST, with an Eg value of ∼ 3.0 eV. Photoluminescence investigations highlighted oxygen deficiencies within the ST material. Furthermore, corrosion inhibition efficiency was evaluated, demonstrating a maximum of 81.9 % at a concentration of 400 ppm, while antibacterial studies exhibited promising results against both Gram-positive (Bacillus subtilis) and Gram-negative (Escherichia coli) bacteria, with zone of inhibitions (ZOI) measuring 8.00 ± 0.250 mm and 9.00 ± 0.000 mm, respectively. These findings collectively underscore the diverse potential applications of ST nanoparticles and offer valuable insights into their structural, optical, electrochemical, and antimicrobial properties.

Uniform redistribution of Zn2+ flux induced by remodeling the solvated structure to form zincophilic interfaces via sodium alginate electrolyte additive

Irregular dendrites produced by zinc anodes and self-corrosion phenomena hinder the large-scale application of aqueous zinc-ion batteries. In this work, a natural polysaccharide sodium alginate molecule (SG) was introduced into the ZnSO4 electrolyte. Relying on the polar groups contained in the SG molecule, the coordination structure of anions and cations in the system is reshaped, and the hydrogen bonding is enhanced by a significant shift of the –OH bond, the reduction of H2 is reduced and the corrosion inhibition efficiency is 16 %. Moreover, the strong chelation between SG molecules and Zn anode prompted the formation of new interfaces, which limited the disordered two-dimensional diffusion of Zn2+, thus achieving the effect of inducing preferential transport and uniform redistribution deposition of Zn2+. Specifically, the Zn||Zn symmetric batteries survived for more than 2500 h for 2 mA cm−2 at 1 mAh cm−2, and survived for more than 1100 h under more severe conditions (10 mA cm−2, 2 mAh cm−2). The Zn||Cu half-cells still have high average Coulombic Efficiency (99.67 %) after 800 cycles, and the Zn||Na3VO4 (NVO) full-cells can stably run for 600 cycles with a remaining specific capacity above 150 mAh g−1. This strategy provides a new idea for the construction of aqueous batteries.

Experimental and Theoretical Approach for the Corrosion Deceleration of Mild Steel in Hydrochloric Acid Medium by Two Sulfonamide Derivatives

AbstractIn the pursuit to find corrosion inhibitors of superior efficacy, N‐(pyrimidin‐2‐yl)‐4‐[(quinazoline‐4‐yl)amino]benzene‐1‐sulfonamide (PQS) and N‐(4‐methylpyrimidin‐2‐yl)‐4‐[(quinazoline‐4‐yl)amino]benzene‐1‐sulfonamide (MQS) are the two new sulfonamides employed, which have decelerating effect on mild steel (MS) corrosion in a medium 0.5 M HCl and were found to have an efficiency of 98.7 % and 96.8 % respectively (303 K for 40 ppm concentration) deliberated through the electrochemical techniques (PDP and EIS). The inhibitory efficacy relies on the temperature of the solution and inhibitor concentration. PQS had greater stability than MQS at higher temperatures which is indicative in the obtained experimental data. The relative adsorption process was in consonance with the Langmuir adsorption isotherm. The SEM, EDS, FT‐IR, and AFM analysis validated PQS and MQS to form a barrier on MS, opposing corrosion. The potential energy surfaces (PES) scan and a theoretical study for PQS and MQS were probed employing density functional theory (DFT) at B3LYP/6‐311+G(d, p) basis set level that explicated the formation of a complex between the sulfonamides and MS. The corrosion inhibition efficiency of PQS and MQS inferred from experimental and theoretical data comply, making them credible corrosion inhibitors.

Effect of oxalic acid on the corrosion of 6063 aluminum alloy in ethylene glycol-water solution in presence of ammonium alcohol polyvinyl phosphate

The corrosion behavior of 6063 aluminum alloy in glycol-water solution with different concentrations of oxalic acid under different temperatures and the inhibitve effect of ammonium alcohol polyvinyl phosphate (AAPP) on its corrosion were investigated by weight loss experiment, electrochemical measurements and scanning electron microscopy (SEM). The results showed that low concentration of oxalic acid had a certain inhibitory effect on the corrosion of 6063 aluminum alloy in glycol-water solution, but high concentration of oxalic acid accelerated its corrosion. AAPP was a mixed type corrosion inhibitor with a predominantly anodic inhibition for 6063 aluminum alloy in a ethylene glycol-water solution containing oxalic acid, its corrosion inhibition efficiency was up to 90% at a concentration of 0.5 g/L under 30 ℃. The effect of AAPP on the surface of 6063 aluminum alloy obeyed the Langmuir isotherm equation. And the corrosion inhibition of AAPP for 6063 aluminum alloy was further confirmed by the results of weight loss experiment and SEM.

Surface adsorption and corrosion resistance performance of modified chitosan: Gravimetric, electrochemical, and computational studies

Two novel chitosan derivatives (water soluble and acid soluble) modified with thiocarbohydrazide were produced by a quick and easy technique using formaldehyde as links. The novel compounds were synthesized and then characterized by thermogravimetric analysis, elemental analysis, nuclear magnetic resonance spectroscopy, Fourier transform infrared spectroscopy, and differential scanning calorimetry. Their surface morphologies were examined using scanning electron microscopy. These chitosan derivatives could produce pH-dependent gels. The behavior of mild steel in 5 % acetic acid, including both inhibitors at various concentrations, was investigated using gravimetric and electrochemical experiments. According to the early findings, both compounds (TCFACN and TCFWCN) functioned as mixed-type metal corrosion inhibitors. Both inhibitors showed their best corrosion inhibition efficiency at 80 mg L−1. TCFACN and TCFWCN, showed approximately 92 % and 94 % corrosion inhibition, respectively, at an optimal concentration of 80 mg L−1, according to electrochemical analysis. In the corrosion test, the water contact angle of the polished MS sample at 87.90 °C was reduced to 51 °C. The water contact angles for MS inhibited by TCFACN and TCFWCN in the same electrolyte were greater, measuring 78.10 °C and 93.10 °C, respectively. The theoretical results also support the experimental findings.

Prediction of Corrosion Inhibition Efficiency Based on Machine Learning for Pyrimidine Compounds: A Comparative Study of Linear and Non-linear Algorithms

The corrosion of materials poses a significant challenge in various industries, leading to substantial economic impacts. In this context, pyrimidine compounds emerge as promising, non-toxic, cost-effective, and versatile corrosion inhibitors. However, conventional methods for identifying such inhibitors are typically time-consuming, expensive, and labor-intensive. Addressing this challenge, our study leverages machine learning (ML) to predict pyrimidine compounds corrosion inhibition efficiency (CIE). Using a quantitative structure-property relationship (QSPR) model, we compared 14 linear and 12 non-linear ML algorithms to identify the most accurate predictor of CIE. The bagging regressor model demonstrated superior performance, achieving a root mean square error (RMSE) of 5.38, a mean square error (MSE) of 28.93, a mean absolute error (MAE) of 4.23, and a mean absolute percentage error (MAPE) of 0.05 in predicting the CIE values for pyrimidine compounds. This research marks a significant advancement in corrosion science, offering a novel and efficient ML-based approach as an alternative to traditional experimental methods. It shows that machine learning can quickly and accurately determine how well organic chemical inhibitors like pyrimidine stop material corrosion. This method gives the industry a new perspective and a workable solution to a problem that has existed for a long time.
 Keywords: machine learning, corrosion inhibition, pyrimidine, QSPR model, predictive analysis