Corrosion Inhibition Performance Research Articles

Electrochemical and Morphological investigations of Elettaria cardamomum pod extract as a green corrosion inhibitor for Mild steel corrosion in 1 N HCl

The corrosion inhibition performance of an ethanolic extract from Elettaria cardamomum pod (ECPE) as a corrosion inhibitor for Mild Steel (MS) in 1 N Hydrochloric acid (1 N HCl) electrolyte was investigated via gravimetric analysis and electrochemical studies like Electrochemical Impedance Spectroscopy (EIS) and Potentiodynamic Polarization (PDP) studies. Qualitative technique such as Gas Chromatography-Mass Spectrometry (GC–MS) was used to identify the main phytochemical components of the ECPE, such as phenolic chemicals, tannins, flavonoids, amino acids, carbohydrates, proteins, and terpenoids. With increasing in inhibitor concentrations (50-250 ppm), it was discovered that the efficiency of the inhibition increased to a maximum inhibition of 60.6% with 250 ppm at 303 K after 1hr. The influence of four distinct temperatures (303-333 K) were also examined where the inhibition efficiency decreased with temperature. The inhibitors were adsorbed onto the MS surface via physisorption. The adsorption of inhibitor appears to function through Freundlich adsorption isotherm more appropriately. EIS study showed that the values of resistance due to charge transfer (Rct) increased with concentration of ECPE where the PDP plots indicate that the extract functions as a mixed inhibitor affecting both the anodic and cathodic partial reactions of the corrosion process. Scanning Electron Microscopy (SEM) with Energy Dispersive X-Ray Spectroscopy (EDX), Fourier Transform Infrared Spectroscopy (FT-IR), and Atomic Force Microscope (AFM) investigated the surface morphology and topology of the MS which confirmed the adsorption of inhibitor molecules on the metal surface. The contact angle method predicted the hydrophobic nature of the MS in the presence of inhibitor. The results of Ultraviolet-Visible Spectroscopy (UV-Vis) provide evidence of iron/inhibitor interaction, which is responsible for the inhibition of corrosion. From all these investigations, it can be concluded that the ECPE acted as a good corrosion inhibitor for MS in a 1 N HCl electrolyte.

Excellent performance of 8-hydroxyquinoline and alkyl polyglycolides hybrid electrolyte additives on aluminum-air battery

We examine 8-hydroxyquinoline (8-HQ) and decyl glucoside (DG) as hybrid additives to inhibit the corrosion of Al-5052 anode in sodium hydroxide solution. The gas evolution experiment, electrochemical measurements, morphological and spectral analysis, ellipsometer, as well as simulating computation are used to investigate the corrosion inhibition strengthening mechanism. It demonstrates that 8-HQ can coordinate with Al3+ ions to form complex film. DG can assemble on the complex film to improve the corrosion inhibition performance through “micelle solubilization”. The optimum corrosion protection efficiency is 83.7% for 10 mM 8-HQ + 3 mM DG.

Guar Gum as an Eco-Friendly Corrosion Inhibitor for N80 Carbon Steel under Sweet Environment in Saline Solution: Electrochemical, Surface, and Spectroscopic Studies.

In this study, the corrosion inhibition performance of the natural polysaccharide guar gum (GG) for N80 carbon steel in CO2-saturated saline solution at different temperatures and immersion times was investigated by weight loss and electrochemical measurements. The results have revealed that GG showed good inhibition performance at lower and higher temperatures. The inhibition efficiency observed via weight loss measurements reached 76.16 and 63.19% with 0.4 g L-1 of GG, at 25 and 50 °C, respectively. The inhibition efficiency of GG increased as the inhibitor concentration and immersion time increased but decreased with increasing temperature. EIS measurements have shown that, even after prolonged exposure, GG was still able to protect the metal surface. Potentiodynamic measurements showed the mixed-type nature of GG inhibitive action. The Temkin and Dubinin-Radushkevich adsorption isotherm models give accurate fitting of the estimated data, and the calculated parameters indicated that the adsorption of GG occurred mainly via an electrostatic or physical adsorption process. The associated activation energy (Ea) and the heat of adsorption (Qa) supported the physical adsorption nature of GG. FTIR analysis was used to explain the adsorption interaction between the inhibitor and the N80 carbon steel surface. SEM-EDS and AFM confirmed the adsorption of GG and the formation of an adsorptive layer of GG on the metal surface.

Heat treatment influence on corrosion inhibitor performance for SMSS-13Cr in H2S-containing environment

Heat treatment influence on corrosion inhibitor performance for SMSS-13Cr in H2S-containing environment

Insight into the anti-corrosion mechanism of Chinese mahonia leaves as a green and bio-degradable against copper corrosion in sulfuric acid medium

BackgroundMetal corrosion not only leads to significant economic losses for the country but also poses a considerable threat to human safety. The majority of corrosion inhibitors available in the market today fail to meet the demand of industrial production for green and sustainable development. Therefore, it is the pursuit of numerous researchers to find efficient, eco-friendly and low-cost methods for metal protection. MethodsIn this work, the information on the main components in extracts of Chinese mahonia leave (MLE) was determined by liquid chromatography-mass spectrometry (LC-MS). The functional groups of MLE were investigated using Fourier transform infrared spectroscopy (ART-FTIR). X-ray electron spectroscopy (XPS) was selected to detect bonding information between MLE and the surface of copper. The mechanism of the anti-corrosion in the Cu/H2SO4 system has been explored by theoretical calculation and electrochemical measurement. Significant findingsThe electrochemical results showed that MLE could prevent corrosion of copper in the H2SO4 system, and the inhibition efficiency (IE) was 91% at 300 mg/L, MLE predominantly forms a protective film on the copper surface by employing both weak interactions (electrostatic adsorption) and strong interactions (chemical coordination). These interactions effectively isolate the copper substrate from the corrosive medium, resulting in a reduction in the corrosion rate. Combining molecular dynamics simulations with theoretical calculations, we have further confirmed that the N, O, and other heteroatoms in MLE molecules play a crucial role in their corrosion inhibition performance.

Insight into the corrosion inhibition performance of Jasmine flower extract on copper in sulfuric acid medium using experimental and theoretical calculation methods

BackgroundCopper is widely used in all areas of society, but it is easy to be corroded in corrosive media, which causes certain economic losses. Among many anti-corrosion methods, adding corrosion inhibitors is an efficient, convenient and common method. However, there are some shortcomings in traditional corrosion inhibitors, so it is urgent to develop an efficient corrosion inhibitor with no toxicity and low cost as well as no harm to the environment. MethodsThe corrosion performance of Jasmine flower extract (JFE) for copper in 0.5 mol/L sulfuric acid medium was studied by electrochemical test, and the microstructure and chemical composition of copper surface were characterized by Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM) and atomic force microscope (AFM). The interaction mechanism between corrosion inhibitor molecules and copper was analyzed based on theoretical calculation. Significant findingsThe results show that JFE is an efficient and environment-friendly corrosion inhibitor. In a certain temperature range (298 ∼ 308 K), when the concentration of JFE is 500 mg/L, the corrosion inhibition efficiency (η) is not less than 94.0%. According to Langmuir adsorption model, the JFE adsorbs on the copper surface as a mixed type of inhibitor.

Inhibition resistance and mechanism of migrating corrosion inhibitor on reinforced concrete under coupled carbonation and chloride attack

Corrosion of steel bars in the marine environment is an important reason to reduce the service life of reinforced concrete structures. In this study, an amino alcohol migrating corrosion inhibitor (MCI) was coated on the concrete surface, which was then subjected to a simulated marine atmospheric environment by carbonation and salt spraying. The carbonation depth, chloride concentration of concrete, electrochemical performance of steel bars and mass loss rate of steel bar were determined to evaluate the corrosion inhibition performance of MCI. NELD-BS610 hardened concrete bubble spacing coefficient analyzer and scanning electron microscopy (SEM) were applied to analyze the pore structure parameters in concrete and the corrosion behavior of steel bar, respectively. The test results showed that MCI could alleviate the deterioration of concrete induced by accelerated carbonation and chloride attack, and delay the carbonation effect. After 7 days of accelerated carbonation and 35 days of chloride attack, the carbonation depth and chloride concentration of concrete coated with MCI were 16.07% and 16.93% lower than those of concrete uncoated with MCI, respectively. MCI could migrate to the steel bar surface of steel bar to form a protective film, significantly improving the electrochemical performance of the steel bar, and the inhibition efficiency of MCI was about 66.07 ∼ 97.91%. Besides, MCI could also reduce the mass loss rate of steel bars and porosity of concrete induced by carbonation and chloride attack. For the specimens coated with MCI, the mass loss rates of steel bar decreased by 20.31 ∼ 39.78%, and pores with sizes of 1.0 ∼ 0.2 μm in concrete reduced by 59.10 ∼ 76.38%. The results of this research are purposeful for alleviating the corrosion damage problems of reinforced concrete in marine areas.

Experimental and modeling analysis on the performance of 2-mercaptobenzimidazole corrosion inhibitor in hydrochloric acid solution during acidizing in the petroleum industry

In this work, the corrosion inhibition of carbon steel in 1 molar HCl solution was evaluated by experimental and modeling approaches using 2-mercaptobenzimidazole (2-MBI). To this end, an experimental design for the weight loss method using response surface methodology (RSM) was carried out and the corrosion rate (CR) and inhibition efficiency (IE) were determined. The study was completed at various values of temperature, exposure time, and inhibitor concentration to determine the optimal conditions for corrosion prevention. Using experimental data on the corrosion rate and inhibition efficiency of 2-MBI, new models were developed, the significance of which was tested using ANOVA-analysis of variance. The developed RSM-based CR and IE models were highly accurate and reliable, and their P-values were less than 0.0001. The novelty of this study lies in the newly developed model for the evaluation of 2-MBI inhibition performance and its application to high-temperature conditions in the petroleum industry. Besides, the R2-statistics (R2, adjusted-R2, and predicted-R2), adequate precision and diagnostic plots were used as main measures to verify the accuracy and adequacy of both CR and IE models. In addition, it was observed that inhibitor concentration had the most impact on both CR and IE models compared to other parameters due to its largest F-values (561.65 for CR and 535.56 for IE models). Moreover, the results indicated that adding 140–150 ppm of 2-MBI at low-level temperatures of 30–35 °C had the most interaction effect on the performance of the corrosion inhibition process. In this case, the CR was less than 0.9 mm/y and the IE more than 94%, even after a high exposure time of 105 h. Furthermore, numerical optimization of the corrosion inhibition process for 2-MBI showed that the optimum conditions for maximum IE and minimum CR were achieved at a concentration of 115 ppm, temperature of 30.7 °C, and exposure time of 60.4 h. Under these conditions, the efficiency and corrosion rate were 92.76% and 0.53 mm/y, respectively. Finally, the adsorption of 2-MBI on the sample surface was studied at various exposure times and temperatures. In all cases, the adsorption behavior obeyed the Langmuir isotherm. In this case, the Gibbs adsorption free energy varied from − 33 to − 37 kJ/mol, which reflects both physical and chemical adsorption of the corrosion inhibitor at all tested temperatures and test times.

On the Development of an Intelligent Poly(aniline-co-o-toluidine)/Fe3O4/Alkyd Coating for Corrosion Protection in Carbon Steel

The corrosion of metals and alloys presents a significant challenge in many industries, demanding constant maintenance, and thereby increasing costs. In response to this problem, the smart corrosion protection coating has emerged as a promising solution. By enabling the immediate detection of, and response to, environmental changes, such as in the temperature and pH, these smart coatings contribute significantly to extending a material’s lifespan, and reducing maintenance expenses. In this study, nanomagnetic [poly(aniline-co-o-toluidine)/Fe3O4] systems were prepared and used as a self-healing corrosion inhibitor, mixed with alkyd paint at different weight percentages (5–25%). The composites were used as a coating on carbon steel (C1010), and their corrosion protection performance was tested in 0.1 mol/L HCl, using electrochemical impedance spectroscopy (EIS), scanning electron microscope (SEM), and FTIR analyses. The results showed an adequate corrosion inhibition performance for the developed composites, compared to the alkyd paint alone, reaching an inhibition efficiency of 80% at 20 wt.% of composite. Adding increasing weight percentages of the developed composites to the paints led to a significant increase in the corrosion resistance, accompanied by a remarkable decrease in the double-layer capacitance. Thus, these developed composites show excellent potential as a corrosion protection formulation in paints.

Comprehensive assessment of some l-amino acids as eco-friendly corrosion inhibitors for mild steel in HCl: Insights from experimental and theoretical studies

In this study, the corrosion inhibition performance of l-asparagine (L-Asp), l-isoleucine (L-Iso), and l-proline (L-Pro) amino acids as eco-friendly compounds was investigated on mild steel coupons immersed in 0.5 M HCl solution. To this end, gravimetric analysis, electrochemical techniques, field-emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS), and quantum chemical/molecular dynamics simulations were employed. At 1000 ppm, L-Asp, L-Iso, and L-Pro show the inhibition efficiencies of around 95%, 93%, and 91%, respectively. The Langmuir adsorption isotherm holds well for all three inhibitors, and based on the thermodynamic data, the adsorption of these inhibitors to the steel surface is involved both physisorption and chemisorption. As evidenced by the XPS results, the donor-acceptor interactions between the heteroatoms (namely, N) and surface Fe atoms play a pivotal role in the chemisorption. In line with the experimental findings, theoretical simulations unveiled potential binding sites accountable for the molecular adsorption on the surface of the steel, thereby providing insights into the underlying mechanism of corrosion inhibition.

Study on the performance of green corrosion inhibitor in protection of API5LX60 in seawater environment

The corrosion inhibition of metals in seawater can be achieved by the addition of inhibitors to the system that prevent corrosion from taking place on the metal surface. The effect of ascorbic acid on carbone steel corrosion in seawater were investigated by means of different techniques: gravimetric method, electrochemical polarization and electrochemical impedance spectroscopy and the scanning electron microscopy (SEM). The results obtained show that the acid ascorbic effectively inhibits the corrosion of steel X60. The optimal inhibitory efficiency is obtained at a concentration of 0.05 g/L of the inhibitor, with a maximum value of 77%. This inhibitor presents a mixed inhibition character. SEM studies confirm the absence of the deterioration products on the surface of the specimens.

Environmentally Benign Water-Soluble Sodium L-2-(1-Imidazolyl) Alkanoic Acids as New Corrosion Inhibitors for Mild Steel in Artificial Seawater.

Three novel natural amino acid-derived sodium L-2-(1-imidazolyl) alkanoic acids (IZSs), namely, sodium 2-(1H-imidazol-1-yl)-4-methylpentanoate (IZS-L), sodium 2-(1H-imidazol-1-yl)-3-phenylpropanoate (IZS-P), and sodium 2-(1H-imidazol-1-yl)-4-(methylthio)butanoate (IZS-M), were investigated as corrosion inhibitors. The IZSs were synthesized following the green chemistry principles, and their structure was characterized using FTIR and NMR techniques. The corrosion study results reveal that a moderate concentration of IZSs (having low solution conductivity) showed potential corrosion inhibition for mild steel in artificial seawater. At longer immersion, IZS-P forms a uniform protective film and exhibits the potential inhibition efficiency of 82.46% at 8.4 mmol L-1. Tafel polarization results reveal that IZS-P and IZS-M act as mixed types with an anodic predominantly corrosion inhibitor. The electrochemical impedance spectroscopy results signify that IZSs inhibit mild steel corrosion through the formation of an inhibitor film on the metal surface, which was further confirmed by the FTIR, SEM, EDX, and XPS studies. DFT result shows that in IZS-P, the benzylic group (-CH2-Ph) has greater electron distribution compared to isobutyl (-CH2CH(CH3)2) in IZS-L and methythioethyl group (-CH2CH2SCH3) which supported the corrosion inhibition performance at longer immersion [IZS-P (82.46%) > IZS-M (67.19%) > IZS-L (24.77%)].

A Waterborne Epoxy Composite Coating with Smart Corrosion Resistance Based on 2-Phenylbenzimidazole-5-sulfonic Acid/Layered Double Hydroxide Composite

In this study, ZnAl-layered double hydroxide (ZnAl-LDH) was functionalized with 2-Phenylbenzimidazole-5-sulfonic acid (PBSA) to prepare ZnAl-PBSA-LDH using a simple one-step method. The electrochemical impedance spectroscopy (EIS) result of the solution phase demonstrated excellent corrosion inhibition performance of ZnAl-PBSA-LDH. Subsequently, 0.6 wt.% ZnAl-PBSA-LDH with shielding effects and active inhibition was incorporated into the water-based epoxy (WEP) for preparing the high-performance anti-corrosion coating (6-ZPL/WEP). The EIS test illustrated that the 6-ZPL/WEP coating maintained a high low-frequency impedance modulus (|Z0.01 Hz|) after 30 days of immersion, which is nearly two orders of magnitude higher compared to that of the blank coating. These results demonstrated that ZnAl-PBSA-LDH could efficiently improve the corrosion resistance of the WEP coating. Therefore, this study introduces new insights into the use of layered double hydroxides (LDHs) in the domain of anti-corrosion.

Corrosion inhibition performance of Punica granatum L extract on Q235 steel in H2SO4 environment: Electrochemical, morphological, and quantum chemical studies

The corrosion inhibitor used in this experiment was the extract of Punica granatum L (PGLE), which was obtained using the pure water extraction method. The inhibition performance of PGLE on Q235 steel in H2SO4 environmental was investigated using electrochemical methods, morphology studies and quantum chemical calculation. The corrosion inhibition properties of PGLE were found to be excellent, with a corrosion inhibition efficiency of approximately 95% at 200 mg/L, and it exhibits characteristics of a mixed-type corrosion inhibitor. The electrochemical impedance (EIS) test revealed a remarkable increase in the charge transfer resistance with the increment of PGLE concentration, and the surface of Q235 steel was covered by a tight and well-organized protective layer of PGLE. The surface morphology test indicates a noticeable decrease in the average surface roughness upon the adsorption of PGLE extract onto the Q235 steel. According to the adsorption isotherm analysis, the adsorption behavior of PGLE on Q235 steel conformed to the Langmuir adsorption. Additionally, adsorption might be physical or chemical. Quantum chemical calculations also showed that PGLE has excellent corrosion inhibition properties.

Corrosion Inhibition Performance and Adsorption Mechanism of Novel Quinazoline Schiff Base on Low Alloy Steel in HCl Media

Corrosion Inhibition Performance and Adsorption Mechanism of Novel Quinazoline Schiff Base on Low Alloy Steel in HCl Media

Assessment of corrosion inhibition performance of quaternary ammonium based dicationic ionic liquids for AZ91D magnesium alloy in NaCl solution

Quaternary ammonium based ionic liquids (ILs) are considered as good corrosion inhibitors to protect substrates of metals such as carbon steel, copper and aluminum alloys against corrosion. However, studies applying them to the corrosion protection of magnesium (Mg) alloys still remain scarce. Herein, in this work, three quaternary ammonium based dicationic ILs, namely [DMBAB][MOPS]2, [DMBAB][Phe]2 and [DMBAB][Trp]2 were synthesized and applied as corrosion inhibitors to improve the corrosion protection ability on AZ91D Mg alloy in 0.5 wt% NaCl solution. Their corrosion inhibition performances were evaluated by electrochemical measurements, and the relevant corrosion results were investigated by extensive characterizations including scanning electron microscopy (SEM), atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS). Results show that the [DMBAB][Trp]2 obtains an 88.8 % inhibition efficiency for AZ91D Mg alloy in 0.5 wt% NaCl solution, clearly higher than those of [DMBAB][Phe]2 (80.4 %) and [DMBAB][MOPS]2 (81.7 %). This suggests that [DMBAB][Trp]2 presents the best corrosion protection ability on AZ91D Mg alloy among these ILs considered here, which is associated with the largest steric body and the most active adsorption sites of [DMBAB][Trp]2 in comparison with other two compounds, hence resulting in a highest surface coverage. The present work offers a guidance for understanding the structure–property relationship of quaternary ammonium based dicationic ILs through a convenient, economical and effective way with a promising application in the field of material protection.

A COMPUTATIONAL STUDY OF SUBSTITUENT EFFECT 1, 3, 4-THIADIAZOLE ON CORROSION INHIBITION

A theoretical study of 1, 3, 4-thiadiazole with nine various derivatives in gaseous and aqueous phases was investigated by employing the density functional theory (DFT) at 6-311++(d, p) basis set and Becke’s three parameters hybrid exchange-correlation functional (B3LYP). The molecules are calculated using quantum computational chemistry calculations such as Gaussian09 software. This paper is to determine the chemical reactivity for various heterocyclic organic compounds and to understand the process of corrosion inhibition. The quantum chemical properties such as the highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO), energy gap (∆E), dipole moment (μ), global hardness (η), global softness (S), electronegativity (χ), electrophilicity (ω), nucleophilicity (ɛ), chemical potential (CP) and electrons transferred from inhibitors to metal surface (ΔN) were calculated. Dynamic simulation approximations to demonstrate the corrosion inhibition performances of studied inhibitors against the corrosion of 1, 3, 4-thiadiazole in the gaseous and aqueous phases can be given as 1<9<8<3<4<5<6<7<2 and1<3<9<8<3<4<5<6<7<2

N-Acetyl cysteine and d-penicillamine as green corrosion inhibitors for copper in 3% NaCl

The corrosion inhibition performance of two amino acid derivatives, N-Acetyl cysteine and D-penicillamine as green corrosion inhibitors of copper in 3% NaCl, in the temperature range of 15–35 °C, was studied by potentiodynamic polarization and impedance measurements. Electrochemical investigations showed the inhibition behaviour of N-Acetyl cysteine and D-penicillamine for copper corrosion with a protection efficiency of ∼ 70%. The adsorption of inhibitors on the copper surface obeys the Langmuir adsorption isotherm and El-Awady kinetic–thermodynamic model. According to the calculated values of Gibbs energy of adsorption (∼−32 kJ mol–1), enthalpy of adsorption (∼−21 kJ mol–1) and entropy of adsorption (42.3 and 34.1 J K–1 mol–1) the adsorption process is exothermic spontaneous chemisorption and physisorption accompanied by an increase in entropy. According to the calculated kinetic activation parameters, the presence of N-Acetyl cysteine and D-penicillamine increases activation energy compared to blank Cu electrode (from 42.3 kJ mol–1 to 56.3 and 56.9 kJ mol–1) indicating strong adsorption of the inhibitor molecules on a copper surface.

Corrosion inhibition performance of developed epoxy coatings containing carbon nanocapsules loaded with diethylenetriamine

In recent years, hollow structured nanomaterials owe high attention to research, especially when applied to organic coatings due to their high surface area, loading capacity, and flexible shape and structure. Towards this direction, mesoporous hollow carbon nanospheres (MPHS) have been synthesized using the self-assembly method with an average diameter of 280 nm using silica particles as a hard template. The etching of the silica cores was carried out using alkaline etching with NaOH which effectively removed the cores as confirmed by the EDX and FTIR. The MPHS has BET surface area, pore volume, and pore radius of 830.8 m2/g, 1.1 cc/g, and 3.4 nm respectively which support the loading of diethylenetriamine (DETA). The DETA acts as a corrosion inhibitor, surface modifier, and hardener loaded into MPHS with a high loading rate (44 %) to develop MPHS@ DETA. 3 wt% of the MPHS@ DETA was blended with an epoxy coating (MPHS@ DETA-EP) as an anti-corrosion pigment and then the properties of the developed epoxy coatings were systematically characterized. The developed MPHS@ DETA-EP shows excellent anti-corrosion behavior after continuous exposure to corrosive media for 40 days making the coating suitable for several industrial applications.

A combination of machine learning model and density functional theory method to predict corrosion inhibition performance of new diazine derivative compounds

This study proposes a novel approach that combines machine learning (ML) and density functional theory (DFT) methods to construct a quantitative structure-properties relationship (QSPR) model for diazine derivatives as anti-corrosion inhibitors. A dataset is constructed by combining three existing diazine isomer datasets to represent diazine compounds. Thirty-two different ML algorithms were implemented on the dataset, and the gradient boosting regressor (GBR) model was identified as the best predictive model for diazine and each isomer dataset based on the coefficient of determination (R2) and root mean square error (RMSE) metric values. This consistency was also observed when the GBR model was implemented on four other diazine derivatives, resulting in high corrosion inhibition efficiency (CIE) values ranging from 85.02 % to 94.99 %. The DFT calculations for these derivatives also showed strong adsorption energies ranging from − 4.41 to − 6.09 eV, in line with the CIE trend obtained from the ML prediction. This novel approach can provide insights into the properties of prospective organic corrosion inhibitors prior to experimental investigations, which could accelerate the development of new and effective organic corrosion inhibitors.