Cathodic Reaction Research Articles

Formulation of thiosemicarbazide based epoxy resin as inhibitor for corrosion of mild steel in 1M HCl: electrochemcial and theoretical studies

ABSTRACT The study presents the development of a new pentafunctional epoxy resin, pentaglycidylthiosemicarbazide (PGTSC), synthesised through a simple condensation process. The molecular structure of PGTSC was characterised using FTIR and 1H NMR spectroscopy. Viscosity measurements indicated that PGTSC's viscosity is significantly influenced by solution concentration and temperature, demonstrating its improved inhibition performance. Electrochemical tests showed that PGTSC achieves a maximum corrosion inhibition efficiency of 92% at a concentration of 10−3 M, with a notable reduction in corrosion current density from 608.60 µA/cm² to 36.67 µA/cm² in 1.0 M HCl. The polarisation studies revealed a mixed-type inhibition mechanism affecting both anodic and cathodic reactions, and the polarisation resistance increased, enhancing the protective properties of steel. The findings were corroborated by additional studies, including PDP, EIS, SEM observations, and computational DFT, MD, and MC calculations support the experimental findings and were in good agreement.

Thermoelectrochemical formation of a solid electrolyte interphase on a silicon negative electrode to enhance the durability of silicon-enriched lithium-ion batteries by compositional modification.

The SiO electrode interface is passivated with a SiO2 layer, which hinders the deposition of an inorganic solid electrolyte interphase (SEI) due to its high surface work function and low exchange current density of electrolyte decomposition. Consequently, a thermally vulnerable, organic-based SEI formed on the SiO electrode, leading to poor cycling performance at elevated temperatures. To address this issue, the SEI formation process is thermoelectrochemically activated. Increasing the formation temperature lowers the work function by shifting the electron energy levels and increases the exchange current density for SEI formation. Higher temperatures promote the incorporation of inorganic Li2CO3 into the SEI film, resulting from the two-electron reduction of ethylene carbonate, and hence the thermally stable SEI film leads to stable cycleability. However, excessively high temperatures cause the SEI layer to become thick and resistive, significantly increasing the polarization of the SiO electrode, which leads to a deficient improvement of cycle performance. Therefore, moderate temperature exposure is required to convert the organic SEI into less resistive, inorganic components. The implementation of a mechanism-assisted SEI formation process in pouch cells using identical materials significantly improves the cycling performance, with a 20% enhancement by the 300th cycle. Additionally, the thermoelectrochemical activation of SEI formation reduces cathodic side reactions on SiO electrodes, which helps in preventing coupled failure of the NCM electrode by mitigating intergranular cracking and preserving its structure.

Enhancing corrosion resistance in HCl environments: Comparative efficacy of a conjugated 3ph-Schiff base versus benzotriazole

This research addresses the need for effective corrosion inhibitors in industrial applications, evaluating the performance of 4-nitro-2-(((1E,2E)-3-phenylallylidene)amino)aniline (noted as 3ph-Schiff base) as a corrosion inhibitor in comparison to benzotriazole (BTA) in a high-concentration 3 M HCl environment. Unlike studies conducted in lower concentrations (e.g. 0.1 and 1 M), this study aims to assess inhibitor performance under more aggressive conditions. Rigorous methods, including Tafel polarisation, electrochemical impedance spectroscopy (EIS), and mass loss measurements, revealed variations in inhibition efficiency (IE). Polarisation data indicated that 3ph-Schiff base at 0.3% (approximately 8.96 mM) achieved a maximum IE of 99.5%, surpassing BTA at the same concentration (approximately 25.2 mM), which recorded an IE of 96.9%. Meanwhile, EIS analysis yielded slightly lower IE values, with 3ph-Schiff base reaching 90.21% and BTA 67.39%, reflecting the complementary nature of these methods. The corrosion inhibition mechanism of 3ph-Schiff base is attributed to strong adsorption on the metal surface, where amino (NH2) and nitro (NO2) groups promote stable complex formation with metal ions, enhancing electron donation and forming a protective layer that blocks corrosive agents. Scanning electron microscopy and elemental mapping confirm uniform nitrogen and carbon surface coverage, integral to the protective layer. This layer acts as both a physical barrier and an electrochemical passivator, effectively reducing anodic and cathodic reactions. The combined effects of adsorption, physical blocking and passivation underscore the 3ph-Schiff base's superior performance as a corrosion inhibitor in acidic environments.

Copper-Doped NiOOH for the Electrocatalytic Conversion of Glycerol to Formate via the Inhibition of the Oxygen Evolution Reaction.

The combination of the electrocatalytic glycerol oxidation reaction (GOR) with the cathodic hydrogen evolution reaction serves to reduce the anodic overpotential, thereby facilitating the efficient production of hydrogen. However, the GOR is confined to a narrow potential range due to the competition of the oxygen evolution reaction (OER) at high potential. Therefore, it is necessary to develop a catalyst with a high Faraday efficiency of formate (FEFA) over a wide potential range. Herein, Cu-doped NiOOH catalysts were synthesized by electrodeposition to inhibit the competing OER during the GOR process, achieving a current density of 10 mA cm-2 at 1.278 V vs RHE, a FEFA over 70.36% within a broad potential range of 1.3 V vs RHE to 1.6 V vs RHE, and a maximum FEFA of 96.46% at 1.35 V vs RHE. In situ spectral studies and DFT calculations revealed that Cu doping slowed the *OH to *O step for the inhibition of the OER and enhanced glycerol adsorption to accelerate the GOR. A competitive reaction mechanism for boosting glycerol electro-oxidation to formate was proposed, presenting a feasible strategy for the highly selective production of electrocatalytic value-added chemicals and the sustainable production of hydrogen energy.

Electrolyte Decoupling Strategy for Metal Oxide-Based Zinc-Ion Batteries Free of Crosstalk Effect.

The crosstalk of transition metal ions between the metal oxide cathode and Zn anode restricts the practical applications of aqueous zinc-ion batteries (ZIBs). Herein, we propose a decoupled electrolyte (DCE) consisting of a nonaqueous-phase (N-phase) anolyte and an aqueous-phase (A-phase) catholyte to prevent the crosstalk of Mn2+, thus extending the lifespan of MnO2-based ZIBs. Experimental measurements and theoretical modelling verify that trimethyl phosphate (TMP) not only synergistically works with NH4Cl in the N-phase anolyte to enable fast Zn2+ conduction while blocking Mn2+ diffusion toward anode, but also modifies the Zn2+ solvation structure to suppress the dendrite formation and corrosion on Zn anode. Meanwhile, the A-phase catholyte effectively accelerates the cathode reaction kinetics. The as-developed Zn|DCE|MnO2 cell delivers 80.13 % capacity retention after 900 cycles at 0.5 A g-1. This approach is applicable for other metal oxide cathode-based ZIBs, thereby opening a new avenue for developing ultrastable ZIBs.

Highly Dispersed Ni-Fe Active Sites on Fullerene based Electron Buffer to boost Oxygen Evolution Reaction

It is critical to develop highly efficient electrocatalysts for water splitting to achieve energy-saving hydrogen production. Recently, fullerene-based electrocatalysts have been widely reported for cathodic hydrogen evolution reaction (HER), while...

Vanadium-regulated nickel phosphide nanosheets for electrocatalytic sulfion upgrading and hydrogen production.

The electrochemical sulfion oxidation reaction (SOR) is highly desirable to treat sulfion-rich wastewater and achieve energy-saving hydrogen production when coupled with the cathodic hydrogen evolution reaction (HER). Herein, we propose a thermodynamically favorable SOR to couple with the HER, and develop vanadium-doped nickel phosphide (V-Ni2P) nanosheets for simultaneously achieving energy-efficient hydrogen production and sulfur recovery. V doping can efficiently adjust the electronic structure and improve intrinsic activity of Ni2P, which exhibits outstanding electrocatalytic performances for the HER and SOR with low potentials of -0.093 and 0.313 V to afford 10 mA cm-2. Remarkably, the assembled V-Ni2P-based hybrid water electrolyzer coupling the HER with the SOR requires small cell voltages of 0.389 and 0.834 V at 10 and 300 mA cm-2, lower than those required in a traditional water electrolysis system (1.5 and 1.969 V), realizing low-cost sulfion upgrading to value-added sulfur and hydrogen generation. This work provides an approach for energy-saving hydrogen production and toxic waste degradation.

The Electrocatalytic Hydrogen Evolution Performance of Manganese Carbonate in an Acidic Medium

AbstractHydrogen, a sustainable alternative to fossil fuels, can be efficiently produced by electrochemical water splitting, which involves hydrogen evolution reaction (HER) at the cathode and oxygen evolution reaction (OER) at the anode. Both HER and OER require electrocatalysts. The large scale implementation of this technology depends heavily on the development of highly active, stable, and cost‐effective electrocatalysts. In view of this, several electrocatalysts have been explored. Herein, the electrocatalytic hydrogen evolution performance of MnCO3 synthesized by hydrothermal method is reported. While MnCO3 is chosen as the electrocatalyst owing to cost‐effect and abundant precursors, environmental friendliness, and good electrochemical activity, the hydrothermal method is chosen for its simplicity, efficiency, and scalability. The micron size MnCO3 synthesized hydrothermally exhibits η10 of 143 mV, a Tafel slope of 72 mV dec−1 and retains its performance over 3000 cycles and 14 h of continuous operation in 0.5 M H2SO4, demonstrating its utility in sustainable hydrogen production.

Dual-Substitution Strategy Utilizing Cation Chelation and Assembly Process to Realize Solid Solution Reaction in Layered Oxide Cathode for Na-Ion Batteries.

Na0.67Ni0.33Mn0.67O2 (NNM) is regarded as a promising cathode material for Na-ion batteries (NIBs), but suffers from irreversible phase transformations characterized by multiple voltage plateaus, resulting in poor cycle stability and inferior rate capability. To address these issues, the Na0.67Ni0.18Cu0.10Zn0.05Mn0.67O2 (NNCZM) cathode material is synthesized by a cation chelation and reassembly process, which can promote a more uniform element distribution than that prepared by the solid-state method (S-NNCZM), resulting in better Na+ diffusion kinetics and rate capability. Replacing Ni2+ with a small amount of Zn2+ prevents the P2-O2 phase transformation, while replacing Ni2+ with an appropriate amount of electrochemically active Cu2+ eliminates Na-vacancy ordering and additionally contributes to capacity. Thus, the dual substitution of Cu2+ and Zn2+ for Ni2+ makes the NNCZM electrode synergistically achieve a complete solid solution reaction and better cycling stability. Accordingly, it exhibits a large discharge capacity (110.2 mA h g-1 at 10 mA g-1) with a high initial coulombic efficiency (97.3%), remarkable cycle stability with 84.1% capacity retention over 200 cycles at 200 mA g-1, and excellent rate capability with a discharge capacity of 61.0 mA h g-1 at 2000 mA g-1, significantly outperforming the NNM and S-NNCZM electrodes.

Recent Progress on Rechargeable Zn-X (X=S, Se, Te, I2, Br2) Batteries.

Recently, aqueous Zn-X (X=S, Se, Te, I2, Br2) batteries (ZXBs) have attracted extensive attention in large-scale energy storage techniques due to their ultrahigh theoretical capacity and environmental friendliness. To date, despite tremendous research efforts, achieving high energy density in ZXBs remains challenging and requires a synergy of multiple factors including cathode materials, reaction mechanisms, electrodes and electrolytes. In this review, we comprehensively summarize the various reaction conversion mechanism of zinc-sulfur (Zn-S) batteries, zinc-selenium (Zn-Se) batteries, zinc-tellurium (Zn-Te) batteries, zinc-iodine (Zn-I2) batteries, and zinc-bromine (Zn-Br2) batteries, along with recent important progress in the design and electrolyte of advanced cathode (S, Se, Te, I2, Br2) materials. Additionally, we investigate the fundamental questions of ZXBs and highlight the correlation between electrolyte design and battery performance. This review will stimulate an in-deep understanding of ZXBs and guide the design of conversion batteries.

Multistage Generation Mechanisms of Reactive Oxygen Species and Reactive Chlorine Species in a Synergistic System of Anodic Oxidation Coupled with in Situ Free Chlorine and H2O2 Production.

Electro-oxidation (EO) is an efficient approach to removing refractory organics in wastewater. However, the interference from chlorine ions (Cl-) can generate reactive chlorine species (RCS), potentially leading to the production of undesirable chlorinated byproducts. A novel approach involving the cathodic oxygen reduction reaction (ORR) for in situ H2O2 production has emerged as a promising strategy to counteract this issue. This study systematically investigated the dynamics and transformation of RCS and reactive oxygen species (ROS) in an ORR/chloride-containing EO (EO-Cl) system, elucidating their respective roles in organic removal and chlorinated byproduct minimization. Distinct generation rates and patterns were observed for free chlorine and H2O2 in the ORR/EO-Cl system. The rapid generation of free chlorine at the anode quickly reached a dynamic equilibrium, which contrasted with the moderate, continuous cathodic production of H2O2, resulting in considerable H2O2 accumulation over time. This difference established kinetics-driven ROS and RCS formation and distribution, influencing the subsequent organic degradation process. Three distinct stages were identified in the degradation process. In stage I, free chlorine was the primary species, along with reactive species including Cl2•-, 1O2, ClO•, HO•, and Cl•. In stage II, the gradual accumulation of H2O2 consumed free chlorine, favoring the formation of 1O2 and HO•. In stage III, excessive H2O2 quenched the free radicals. Insights into these multistage mechanisms reveal that the rapid degradation of chlorinated byproducts by 1O2 and HO• occurs in stage II of the ORR/EO-Cl system.

Advancing a Comprehensive Model for Carbon Steel Corrosion in Weak Acids: Validation Using Valeric and Acetic Acids

Acidic corrosion in industrial environments represents a serious threat that requires an active prevention and management strategy. In this context, weak acids can create a severe corrosion environment for metallic surfaces, sometimes exceeding the severity observed in strongly acidic solutions under similar conditions. While most of the research efforts of the last decades in the field of the predictive modeling of acidic corrosion have been focused on the specific case of sweet corrosion caused by carbonic acid, the goal of this work is to describe and validate a predictive model to be used as a more transversal tool for acidic corrosion. The model, called the Tafel–Piontelli model, leverages Tafel law to mechanistically describe the electrochemical behavior of carbon steel in acidic aqueous environments. Two different acids, acetic and valeric, were used to experimentally evaluate the performance of the model in weakly acidic solutions, varying the pH and the temperature conditions. Potentiodynamic polarization tests and mass loss tests were performed, allowing us to assess the kinetic parameters (the Tafel slope and the exchange current density of the cathodic and anodic reactions) and corrosion rates of the corrosion process. The promising results suggest that the Tafel–Piontelli model is able to adapt to different scenarios and its intrinsically theoretical nature allows us to extend its predictions outside the range of experimental conditions used to validate it.

Lannea microcarpa Leaves Extract as Corrosion Inhibitor for Aluminium Metal in Acid Medium

Techniques for weight loss, electrochemistry, scanning electron microscopy (SEM), and Fourier transform infrared spectroscopy (FTIR) were used to investigate the inhibitory impact of Lannea microcarpa leaves extract. The weight loss data showed that the plant extract's ability to suppress corrosion increased with higher concentrations and decreased with higher temperatures and HCl acid concentrations. According to the electrochemical data, the plant extract uses a mixed type mechanism to limit both cathodic and anodic reaction rates. Calculated activation energies were found to be higher in inhibited systems than in uninhibited systems, indicating physisorption, while negative values of ∆G point to a process that is both possible and spontaneous. The inhibitory mechanism was demonstrated by FTIR spectra to be an adsorption process through the functional groups present in the phytochemicals of the plant extract onto the surface of Al metal. SEM surface morphology study demonstrated the protection that the extract provided on the metal surface. Compared to other isotherm models that were examined, the adsorption data were found to be more reliable and suited the Langmuir isotherm well.

Aminoborate-Catalyzed Reductive Counterreactions for Oxidative Electrosynthetic Transformations.

Electrooxidative transformations frequently rely on proton reduction as the terminal electron sink. However, this cathodic counterreaction can be slow in organic solvents and can operate at reducing potentials that are incompatible with catalysts and reagents needed for oxidative reactions. We report aminoborate adducts as redox mediators for proton reduction that operate at mild reducing potentials. This reliable cathodic couple ultimately enables successful oxidative organic transformations, including chlorodeborylation, developed herein, and Cu-catalyzed Chan-Lam coupling, reported previously by our group. Pyridinium borate adducts formed during electrooxidative chlorination of aryl trifluoroborates serve as easily reduced complexes (-1.1 V vs Fc/Fc+) to catalyze proton reduction. Reactions that promote the formation of borate adducts result in high yields, operate at low cell potentials, suppress aryl trifluoroborate decomposition, and mitigate electrode passivation. These studies illustrate the utility of Lewis acid-base complexes in cathodic counterreactions and underscore the importance of developing both anodic and cathodic reactions in electrosynthesis.

Enhanced electrocatalytic performance and exceptional durability facilitate the effective degradation of m-dinitrobenzene wastewaters utilizing a novel SS/PbO2-Y2O3-SiC electrode

The intrinsic toxicity of m-dinitrobenzene (m-DNB) to human health and the environment has made dealing with m-DNB pollution a major concern. Herein, a novel hydrophobic anodic electrode SS/PbO2-Y2O3-SiC doped with Y and SiC was constructed via a simple electrodeposition strategy for efficient degradation of m-DNB. With a dense-uniform structure and hydrophobic surface, such SS/PbO2-Y2O3-SiC electrode exhibits obviously lower activation energy (8.17kJmol−1) and charge transfer resistance (1.15 Ω cm2), higher electrochemical active area (46.14 cm2) and stability (359 d), in comparison to SS/PbO2. The m-DNB removal efficiency of the as-prepared SS/PbO2-Y2O3-SiC anode was significantly increased to 96.4% in 180minutes, and the degradation reaction-order was determined to be 0.9559, which was in accordance with the quasi-first-order reaction kinetics. These are the possible degradation pathways of m-DNB under the action of both cathodic and anodic reactions, according to the GC-MS results. The -NO2 group of m-DNB was first reduced to the -NH2 group at the cathode surface, and then the m-phenylenediamine generated at the cathode was sequentially oxidised by the hydroxyl radicals generated from the anodic electrochemical process, resulting in the generation of H2O and CO2 at the anode surface. Additionally, the Assessment Software Tool (TEST) shows that the SS/PbO2-Y2O3-SiC anode can effectively reduce the risk and harm of m-DNB to the overall environment. This study offers novel perspectives on the development of a highly efficient PbO2 electrode for the degradation of m-DNB pollutants.

Experimental investigation of the electro-chemical characteristics of SFRCs under the effect of chloride ion intrusion

Steel fiber-reinforced concrete (SFRC) has been recognized for its excellent durability in severe corrosive environments and its ability to improve the mechanical performance of concrete. However, the anti-corrosion mechanisms of steel fibers towards the embedded rebar have not been clarified, and a design that reflects the inherent electro-chemo-mechanical performance of SFRC has yet to be established. To understand the electro-chemical properties, accelerated corrosion tests induced by chloride penetration were conducted in this study using transparent porous materials with embedded steel fibers and rebars, which enabled visualization of the whole polarization areas. The experimental results indicate that steel fibers delay onset of rebar corrosion and inhibit subsequent corrosion progression. Mechanisms of anti-corrosion owing to fibers are explained as: (1) When a difference in chloride ion concentration arises between surface layers and the interior, the anodic reaction gets dominant in the surface layer, but meanwhile, the cathodic reaction dominates inside where reinforcing bars are located, and: (2) A corrosion protection system appears when dispersed steel fibers affects the rate of corrosion current around the rebars. Consequently, a rebar macro-cell circuit would be hardly formed.

L-tryptophanium picrate as novel anticorrosion agent for mild steel in 5% HCl: A detailed experimental and in silico investigation

Acidizing in petroleum recovery often leads to severe corrosion of mild steel, necessitating the development of highly effective corrosion inhibitors. In this study, L-tryptophanium picrate ( [Trp][Pic]), an amino acid derivative synthesised by one-step synthesis involving two-component acid–base reaction between L-tryptophan and picric acid, is investigated as a novel corrosion inhibitor for mild steel in 5% HCl. A comprehensive experimental and theoretical approach was employed to evaluate its performance. Weight loss measurements, potentiodynamic polarization (PDP), and electrochemical impedance spectroscopy (EIS) were used to determine the inhibition efficiency. At 30°C, [Trp][Pic] significantly increased the polarization resistance from 81.08 Ω cm² in the uninhibited solution to 462.15 Ω cm² in the presence of 100 ppm of [Trp][Pic], achieving an inhibition efficiency of 82.46%. PDP results confirmed its mixed-type behavior, reducing both anodic and cathodic reactions. Surface analysis through SEM and AFM demonstrated the formation of a uniform protective film of [Trp][Pic] that shielded the steel surface. X-ray photoelectron spectroscopy (XPS) supported the role of donor-acceptor interactions between heteroatoms and Fe atoms in the chemisorption mechanism. Molecular dynamics (MD) simulations identified key binding sites responsible for the strong adsorption of [Trp][Pic], providing insight into the molecular-level mechanism of inhibition. These findings highlight the potential of [Trp][Pic] as a promising corrosion inhibitor for industrial applications.

The influence of ZIF-L in a microbial fuel cell (MFC) cathode for oxygen reduction reaction (ORR).

Microbial fuel cells (MFCs) utilize the metabolic activities of microorganisms, through which the chemical energy is directly converted into electrical energy. Bacteria produce electrons by means of oxidation of organic/inorganic substrates within the MFCs. Metal organic frameworks (MOFs) that are porous coordination polymers have gained much interest in the field of efficient catalysts due to their unique characteristics. The utilization of MOF catalysts for oxygen reduction reaction (ORR) in the MFC cathode is one of the most remarkable research areas in material science. MOF (zeolitic imidazole framework-leaf like, ZIF-L) decorated cathode system was employed for the first time in MFC to monitor the improvement in performance by taking advantages of both electrocatalytic activity and porosity of MOFs for the utilization of bioelectrons for ORR. Analysis of ORR performance of ZIF-L/carbon black (CB) composite cathode demonstrated that ZIF-L containing cathode system had an improved ORR activity compared to MFC cathode materials in the literature. The remarkable current density value of 2.1mAcm-2 and the maximum power density value of 1,462 mW m-2 at room temperature revealed that ZIF-L decorated cathode is an excellent alternative for efficient reduction of oxygen in MFCs.

Terminalia bellirica fruit shell extract by microwave assisted extraction as a green inhibitor for mild steel acid corrosion: insight from chemical, electrochemical and computational studies

In the current study, the corrosion protection role of ethanol extract of Terminalia bellirica fruit shell on Mild Steel (MS) in 0.5 M HCl solution was studied by using weight loss, Tafel plot, AC impedance and surface techniques. The existence of functional groups in the plant extract was confirmed with the aid of FT-IR spectroscopy technique. The presence of 31.12% of gallic acid in the Terminalia bellirica fruit shell extract was complemented with HPLC and LCMS results. The surface coverage and protection efficiency of Terminalia bellirica fruit shell extract were enhanced with its concentration and declined with solution temperature. The activation parameters such as activation enthalpy, entropy and change in Gibb’s free energy are related to adsorption process were calculated and discussed. The adsorption of Terminalia bellirica fruit shell extract was found to obey the Langmuir adsorption model. The process of adsorption of inhibitor molecules on the metal surface can be verified by using UV–Visible spectroscopy technique. The potentiodynamic polarization and impedance results suggest that, Terminalia bellirica fruit shell extract functioned by adsorption at metal (MS)-Corrodent (0.5 M HCl) interface, which blocks the both cathodic and anodic half reactions of the MS corrosion process. Theoretical approach by Monte Carlo (MC) simulations and quantum chemical study support the experimental findings and adsorption of extract of Terminalia bellirica fruit shell molecules on MS surface.

Green Corrosion Inhibition of Mild Steel in 1.0 M HCl Using Myrtus Communis Essential Oil: Experimental and Theoretical Investigations

AbstractThis study investigates the green corrosion inhibition of mild steel in 1.0 M HCl using Myrtus communis essential oil (EOMC). Experimental and computational methods were combined to evaluate the corrosion inhibition effectiveness of EOMC. Weight loss measurements and electrochemical techniques, demonstrated that EOMC achieves a maximum corrosion inhibition efficiency of 94.81% at a concentration of 400 ppm of MCEO extract. The icorr significantly decreased from 983 µA/cm2 in the 1.0 M HCl solution to 51 µA/cm2 at 10−3 M, demonstrating the inhibitor's effectiveness. Polarization studies suggested mixed‐type inhibition, affecting both anodic and cathodic reactions, supported by changes in Tafel slopes. The Rct reached 462 Ω cm2 at 400 ppm of EOMC, enhancing the steel's protective capability. Higher temperatures increased the corrosion rate, with icorr values rising from 51 µA/cm2 at 298 K to 501 µA/cm2. Surface analysis using scanning electron microscopy coupled with energy‐dispersive X‐ray spectroscopy (SEM‐EDX) confirmed the formation of a protective layer on the steel surface in the presence of EOMC. Additionally, density functional theory (DFT) calculations and molecular dynamics (MD) simulations provided further insights into the adsorption behavior of the EOMC molecules on the MS surface, revealing that the inhibition process involves both physisorption and chemisorption mechanisms.