Corrosion Inhibition Of Steel Research Articles

Alkaloid extract of seed Citrullus colocynthis as novel green inhibitor for mild steel corrosion in one molar HCl acid solution: DFT and MC/MD approaches

The study was designed to explore the corrosion prevention capabilities of Citrullus colocynthis seeds alkaloid-rich extract (CSEA) on MS in a 1 M HCl environment by use of electrochemical and theoretical methods. Notably, Electrochemical Impedance Spectroscopy (EIS) and potentiodynamic polarization were used to probe the impact of immersion time and temperature. Energy-dispersive X-ray spectroscopy (EDX) and spanning electron microscopy (SEM) were used to confirm the presence of a protective layer on the substrate surface. Density functional theory (DFT) method was used to optimize the investigated species by use of B3LYP/6–31 + G(d, p) level of theory. The global and local quantum chemical reactivity descriptors were calculated to explore the inhibition corrosion efficiency and to identify the most favorable sites for electrophilic and nucleophilic attacks. Monte Carlo (MC) and molecular dynamics simulation (MDS) methods were used to study the interactions between corrosion inhibitor and metal surface. Noteworthy, results showed that CSEA exhibited an impressive inhibition efficiency, which reached 94.3% with a concentration of 2 g/L at 298 K. Potentiodynamic polarization revealed that the extract acted as a mixed-type inhibitor. Nyquist graphs showed that charge-transfer resistance and dæouble-layer capacitance both rised with increasing CSEA concentration, suggesting better inhibition efficiency. Notably, the Langmuir adsorption isotherm is well-aligned with the adsorption of inhibitor compounds. Importantly, all aforementioned theoretical methods were in agreement with the experimental findings. The outcome of the present work supported using Citrullus colocynthis seeds alkaloid-rich extract as ecofriendly agents to prevent corrosion.

Investigation of a pyridazinone derivative as a corrosion inhibitor for carbon steel in acidic conditions using experimental and theoretical methods

The anti-corrosive properties of the newly synthesized compound pyridazinone, especially 2-(3-(4-fluorophenyl)-2-oxopropyl)-4-(3-nitrobenzyl)-6-phenylpyridazin-3(2 H)-one (FOPP), on carbon steel in a 1 M hydrochloric acid solution were thoroughly investigated. We used multiple techniques, including potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), surface morphology analysis, contact angle measurements, UV–visible spectrometry, and quantum chemical calculations. The maximum corrosion inhibition efficiency of FOPP was found to be 96.3 % at 10−3 M concentration and 303 K temperature. PDP studies showed that FOPP acts as a mixed-type inhibitor with anodic predominance. The hydrophobicity of the surface of the metal studied showed considerable improvement by the FOPP coating using the contact angle technique. Scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDX) were used to confirm the results obtained using the contact angle technique. The two methods of theoretical chemistry, namely density functional analysis (DFT) and molecular dynamics simulation, were used to gain a better understanding of the interactions between the inhibitor and the surface of the metal studied and the ability of this inhibitor to adhere to the surface of the iron and form a protective film.

Excellent corrosion inhibition efficiency of Catharanthus roseus (Nayantara or Sadabahar) leaf aqueous extract on mild steel in chloride-contaminated solutions at different pH

The efficacy of Catharanthus roseus (Nayantara or Sadabahar) leaf extract as a green corrosion inhibitor for mild steel in chloride-contaminated environments has been investigated in the present work. This study has employed a straightforward, practical, and less expensive Maceration process to prepare leaf extract. The adaptability of the extract as a corrosion inhibitor has been evaluated through electrochemical polarization and impedance studies in chloride-contaminated environments with varying pH levels. In addition, long-term corrosion monitoring has been conducted to evaluate the sustainability of the inhibitor against chloride-induced corrosion at a neutral pH level. This novel study has revealed that the extract defends mild steel against chloride assaults better at pH 2 than it does in neutral or alkaline conditions. Moreover, electrochemical studies and subsequent characterizations have confirmed the film-forming nature of the inhibitor.

Investigating the efficacy of phenolic Schiff bases as corrosion inhibitors for mild steel in acidic environments: Integrating experimental and theoretical approaches (Part B)

Our research employs a holistic methodology to assess the efficacy of a series of phenolic Schiff bases as corrosion inhibitors for mild steel in a 1 M HCl solution. Through complementary studies, we aim to unravel the corrosion inhibition mechanism by investigating neutral, protonated, and complex forms of inhibitors using advanced computational and statistical methods. This initial investigation specifically involves evaluating the effectiveness of two phenolic Schiff bases through weight loss tests (WL) and electrochemical techniques. The study focuses on the corrosion inhibitory properties of two phenolic Schiff bases, namely 4,4′-((1E,1′E)-(ethane-1,2-diylbis(azaneylylidene))bis(methaneylylidene))diphenol (PSB7) and (1E,1′E)-N,N'-(ethane-1,2-diyl)bis(1-(4-nitrophenyl)methanimine) (PSB8), on mild steel (MS). Results from weight loss and electrochemical methods indicate that inhibition efficiency improves with decreasing temperature and increasing inhibitor concentration, reaching 94 % (for PSB7) and 93 % (for PSB8) at 303 K and 1 × 10−3 M, respectively. Consequently, both PSB7 and PSB8 function effectively as inhibitors in a mixed form. The adherence of both inhibitors to the surface follows the Langmuir adsorption isotherm model. Additionally, SEM and EDS experiments provide evidence of adsorption on the surface. The findings from Density Functional Theory (DFT) and Molecular Dynamic Simulations (MDS) consistently match the actual data, maintaining the order of inhibition efficiency (PSB7 > PSB8).

Combined electrochemical, surface analysis and DFT/MD-simulations to evaluate choline histidine ionic liquid as a green corrosion inhibitor for mild steel in neutral medium

The current research reports the performance of choline histidine ionic liquids ([Ch][His]) as novel corrosion inhibitor for mild steel in 3.5 wt% NaCl solution. According to the experimental findings, [Ch][His] significantly inhibit the mild steel corrosion. The inhibition efficiency is positively correlated with the inhibitor concentration and negatively correlated with the temperature. Optimal inhibition efficiency was 89.8 %, 86.9 % and 84.0 % for weight-loss analysis, polarization test (PDP) and electrochemical impedance (EIS) at 3000 ppm. The surface analysis visualized that the surface of mild steel was less corroded and damaged in the solution containing [Ch][His] compared to the blank solution. The [Ch][His] showed the anodic type of mild steel corrosion inhibition with both chemisorption and physisorption nature following Langmuir adsorption isotherms. MD simulation and Quantum chemical calculation evidenced that [Ch][His] forms a barrier film on the mild steel surface, confirming the experimental results.

Phytochemicals as eco-friendly corrosion inhibitors for mild steel in sulfuric acid solutions: a review

Abstract Plant extracts represent abundant sources of biomolecules distributed throughout various plant parts. These biomolecules are extracted using diverse solvents and methods. Within these plant extracts lie bioactive compounds, known for their antioxidant properties and anticorrosive capabilities. Detecting and isolating these active biomolecules from plant extracts necessitates analytical techniques such as gas chromatography-mass spectrometry and liquid chromatography-mass spectrometry. The active biomolecules within plant extracts contain heteroatoms within their structures, facilitating their adsorption on steel surfaces and conferring corrosion inhibition properties. The advantages of plant extracts as green corrosion inhibitors include ready availability, ease of application, eco-friendly characteristics, and cost-effectiveness. These extracts adhere to steel surfaces, blocking their active sites and effectively reducing the corrosion rate. This review consolidates the findings on the corrosion inhibition potential of plant extracts from various plant parts, elucidating their performance in different concentrations of sulfuric acid.

Aluminum and Mild Steel Inhibition Investigation Using Trithiocyanuric Acid: Insights from Density Functional Theory (DFT)

<p>The study investigates the corrosion inhibition properties of Trithiocyanuric Acid (TTCA) on Aluminum and mild steel using Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations. The electronic properties of TTCA, including the highest occupied molecular orbital (E<sub>HOMO</sub>) of -7.617 eV and the lowest unoccupied molecular orbital (E<sub>LUMO</sub>) of -4.301 eV, yield an energy gap of 3.316 eV. The calculated absolute electronegativity was 5.959 eV, global hardness obtained was 1.658 eV, global softness was 0.603136 eV, global electrophilicity index was 1.449891 eV, and nucleophilicity was 0.689707 eV. The energy of back donation was also 0.689707 eV. The charge transfer parameters, ΔNFe and ΔNAl, are also 0.862989 eV and -0.21653 eV, respectively, indicating effective interaction with both metal surfaces. Functional groups in TTCA contribute significantly to its corrosion inhibition performance by facilitating alignment on the metal surfaces. The interaction mechanism is characterized as physisorption, with binding energy values falling within the range typical for this adsorption type. The results suggest that TTCA is a suitable corrosion inhibitor for Aluminum and mild steel, making it a promising molecule for industrial applications where metal protection is essential.</p>

Grape Seed Extract as an Environment-Friendly Green Inhibitor for Corrosion of Mild Steel in 1 M Sulfamic Acid

AbstractA corrosion inhibition study of mild steel in 1 M sulfamic acid was conducted using grape seed extract (GSE) as a possible green inhibitor. Electrochemical techniques were adopted to measure the corrosion rate in both the absence and presence of the GSE. Conditions were standardized to obtain optimum inhibition efficiency by varying the concentration of inhibitor and temperature. The kinetic parameters were calculated using the Arrhenius equation. Surface analysis was conducted by scanning electron microscope (SEM) and atomic force microscope (AFM) techniques. A suitable mechanism was proposed for the corrosion inhibition process. Grape seed extract showed a maximum efficiency of 65%, with a concentration of 0.24 g/L at 303 K from potentiodynamic polarization (PDP) studies. With the increase in temperature, the efficiency decreased, resulting in the GSE inhibitor’s physical adsorption. Surface morphology studies supported the adsorption of GSE on mild steel. GSE acted as an efficient green inhibitor with environmental benefits.

Performance Evaluation of Bryophyllum Pinnatum Leaves Extract as Corrosion Inhibitor for Mild Steel in 1 M Phosphoric Acid

Performance Evaluation of Bryophyllum Pinnatum Leaves Extract as Corrosion Inhibitor for Mild Steel in 1 M Phosphoric Acid

Experimental and Theoretical Investigation of the Inhibitor Efficiency of Eucalyptus globulus Leaf Essential Oil (EuEO) on Mild Steel Corrosion in a Molar Hydrochloric Acid Medium.

As a corrosion inhibitor for mild steel in a molar hydrochloric acid medium, we investigated the potential of Eucalyptus globulus essential oil (EuEO). Through electrochemical impedance spectroscopy (EIS), potentiodynamic polarization curves, and theoretical methods, including DFT/B3LYP 6-31G (d, p) and Monte Carlo simulations, the interactions between the EuEO components and the steel surface were analyzed. D-Allose, Betulinaldehyde, and Uvaol were identified as the major active compounds in the GC-MS analysis. The experimental results showed that EuEO reached an inhibitory efficiency as high as 97% at a 1 g/L concentration. The findings suggest that EuEO operates as a mixed-type inhibitor, reducing both cathodic and anodic reactions, as well as building up a protective coating on the steel surface. Simulations also confirmed that EuEO molecules function as electron donors and acceptors, enhancing corrosion resistance.

Acid corrosion inhibition of mild steel by 8-hydroxyquinoline derivatives: organic synthesis, characterization, chemical, electrochemical investigation and theoretical calculations

In this study, two 8-hydroxyquinoline derivatives, HAPAQ and EAPAQ, were first synthesized, and their molecular structures were confirmed by 1H and 13C NMR. The effects of HAPAQ and EAPAQ on corrosion processes were investigated using weight loss, electrochemical, and theoretical methods. Overall, the data unmistakably demonstrate that the inhibition performance (η %) increases with an increase as HAPAQ and EAPAQ concentrations rise, peaking at 96.08% (HAPAQ) and 94.37% (EAPAQ) at the optimal concentration (10−3 M) for PPD technology. The two 8-hydroxyquinoline derivatives exhibit inhibitory behavior, as seen by the polarization curve impedance tests; however, they demonstrate that adsorption promotes protective action on metal surfaces, creating a geometric blocking effect and a protective coating that impedes metal breakdown. HAPAQ and EAPAQ's inhibitory efficacy may be reduced by the rising temperature. Furthermore, it adheres to Langmuir’s single-layer adsorption isotherm, and the physisorption and chemisorption mechanisms are linked to the corresponding value of the adsorption energy (ΔG ads). Additionally, the MS scanning electron microscope (SEM) has been studied and discussed. The possibility of complex organization between the inhibitor molecules, 8-hydroxyquinoline derivatives (HAPAQ and HAPAQ), and the Fe2+ ions generated during the oxidation process was established by examining the test solutions using UV–visible spectroscopy. Consequently, it is evident from DFT simulations that the surface recovery is dependent on the local reactivity descriptors. The theoretical outcomes derived from DFT are aligned with the findings of the experimental studies.

The use of amines as steel corrosion inhibitors in butanol-gasoline blends

Butanol is an interesting component used for blending gasoline fuels. However, the polar nature of butanol allows the solubility of water and ionic compounds in butanol-gasoline blends (BGBs) making them aggressive to mild steel. Amines, such as ethylenediamine, diethylenetriamine, triethylenetetramine, tetraethylenepentaamine, morpholine, piperazine, and hexamethylenediamine, were tested as corrosion inhibitors for mild steel in BGBs. Additionally, the influence of the acetic acid and sodium chloride concentrations on the inhibition efficiency was examined. Electrochemical impedance spectroscopy andpotentiodynamic polarization were employed for the measurements, complemented by static immersion testing and an XPS surface analysis. The highest inhibition efficiency was demonstrated for diethylenetriamine, triethylenetetramine, andhexamethylenediamine, achieving a value of 95 % or more at aconcentration of 100 mg/L. The formation of ionic pairs involving protonated amines andchlorides was also confirmed. The XPS analysis revealed a very thin passive layer of iron oxides, which may form in the presence of amines, protecting mild steel in BGBs.

Novel chitosan-oligosaccharide derivatives as fluorescent green corrosion inhibitors for P110 steel

In the exploitation of seawater resources, the transported pipelines are frequently corroded, resulting in economic losses and environmental pollution. The development of corrosion inhibitors is an effective measure to mitigate the corrosion of metals in seawater. In this work, novel chitosan oligosaccharide derivatives (CF) were synthesized as fluorescent eco-friendly corrosion inhibitor by modifying fluorescent monomers. The characterization of CF revealed excellent fluorescence intensity, promising the potential for on-line detection. The inhibition performance of CF on P110 in 3.5 wt% NaCl solution was investigated through experimental evaluation and theoretical analysis. The electrochemical measurements indicated that the corrosion inhibition efficiency was increased from 61.00 % to 91.19 % with the introduction of fluorane. Adsorption isotherm and XPS analysis demonstrated that CF is designed to protect metal by forming the composite film on P110 through physical and chemical adsorption. In addition, theoretical calculations revealed differences in the interaction energies, radial distribution functions and diffusion coefficients of inhibitors on the Fe (110) surface. These theoretical results aligned with the experiments and confirmed the excellent ability of CF in metal corrosion protection from the molecular perspective. This new chitosan derivative provides new possibilities for the development of the green composite inhibitor that allows on-line detection.

Exploring the Adsorption Mechanism of Novel Biscoumarin Derivatives as Corrosion Inhibitors for Stainless Steel in 2 M H2SO4 Medium: An Integrated Approach Combining Electrochemical and Theoretical Studies

Exploring the Adsorption Mechanism of Novel Biscoumarin Derivatives as Corrosion Inhibitors for Stainless Steel in 2 M H2SO4 Medium: An Integrated Approach Combining Electrochemical and Theoretical Studies

Inhibition of carbon steel corrosion caused by Pseudomonas aeruginosa biofilms using the eco-friendly ε-Polylysine antimicrobial peptide

This study evaluated the effect of the ε-Polylysine (E-PL) antimicrobial peptide on the corrosion behavior of P. aeruginosa attached to carbon steel surfaces. The results showed that E-PL exhibited good antibacterial and antibiofilm activity, further effectively inhibited the corrosion behavior of P. aeruginosa by biofilm thickness, surface morphology, corrosion product, EIS and molecular biology method. In addition, the transcriptome and qPCR data showed that E-PL significantly downregulated the expression of key genes in flagella, quorum sensing, biofilm formation, and phenazines for resisting microbiologically influenced corrosion. This study has theoretical significance for evaluating the corrosion of marine equipment.

Seaweed extract as green corrosion inhibitor for carbon steel in hydrochloric acid solution

This study aimed to investigate the corrosion inhibition effect of seaweed extract abbreviated as SAE on carbon steel (CS) in 1.0 mol/L hydrochloric acid (HCl) solution. The functional groups in SAE were characterized using Fourier transform infrared (FTIR) spectroscopy. The corrosion inhibition effect of SAE on CS was determined through weight loss experiments, electrochemical tests, and scanning electron microscopy (SEM). Additionally, the composition of the corroded CS surface after immersion in SAE solution was measured through X-ray photoelectron spectroscopy (XPS) analysis. The results indicate that SAE achieves a corrosion inhibition efficiency of 95.0 % for CS in 1.0 mol/L HCl. Furthermore, SAE was identified as a mixed-type inhibitor. The adsorption of SAE on the CS surface follows the Langmuir adsorption isotherm model. UV–visible spectroscopy (UV–vis) studies confirmed that the corrosion inhibition of CS was achieved through the formation of CS-SAE phytoconstituents complex. Moreover, Molecular dynamics simulations (MS) and quantum chemical (QC) calculations were utilized to predict the adsorption properties of several major SAE components and the chemical parameters associated with inhibitory efficiency. This work offers insightful information for developing and applying eco-friendly CI for acid pickling or rust removal from CS.

Correlation between molecular structures and performance of corrosion inhibition of carbon steel by some imidazole analogs in HCl 1 M: Integrating practical and theoretical aspects

Two types of imidazole analogs, namely 1-((4RS,5SR)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1 H-imidazol-1-yl)ethan-1-one (TOIE) and (4SR,5RS)-2,4,5-tri(furan-2-yl)-4,5-dihydro-1 H-imidazole (TFMI), were probed as corrosion-inhibiting substances for carbon steel in hydrochloric acid (HCl) milieu by dint of potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), ultraviolet-visible spectroscopy (Uv-visible), and scanning electron microscopy (SEM), together with theoretical approaches. The findings reveal that anticorrosion performance depends on both temperature and concentration; it reached 94.9 % for TOIE and 89.2 % for TFMI at 0.001 M under 303 K, respectively, but it was 90.2 and 79.4 %, respectively, at 0.001 M under 333 K. Examination of PDP revealed that all imidazole analogs perform as mixed-type inhibitors. Additionally, the adsorption mode of imidazole analogs on carbon steel complies with the Langmuir adsorption isotherm and includes a chemisorption process. The surface (SEM) and milieu (UV–visible) analyses substantiate that corrosion protection happens as a result of imidazole molecules' adsorption at the carbon steel interface. The obtained quantum chemical indices, such as global softness, electron transfer fraction, and energy gap, together with Fukui indices, can give a good interpretation of the effectiveness of inhibition. Molecular dynamics simulations (MDS) discovered that the TOIE and TFMI molecules, in a flat manner, are adsorbed on carbon steel orbitals, thus giving rise to more effective adsorption and corrosion inhibition.

Zea mays bracts extract as an eco-friendly corrosion inhibitor for steel in HCl pickling solution: Experimental and simulation studies

Active phytochemicals with unique electron structures can adsorb on metal surfaces and effectively mitigate metal corrosion. Recently, plant extracts have garnered significant attention as green and renewable corrosion inhibitors. In this study, the abundant agricultural byproducts, namely Zea mays bracts, were used as the extract raw materials, and Zea mays bracts extract (ZMBE) was served as an eco-friendly corrosion inhibitor for mild steel (MS) in 1 M HCl pickling solution. The organic substances in ZMBE were analyzed via ultra-high performance liquid chromatography- quadrupole time-of-flight mass spectrometry (UPLC-QTFMS). The interaction between the active functional groups and MS was investigated using Fourier transform infrared (FT-IR) and ultraviolet–visible (UV–visible) spectroscopy and X-ray photoelectron spectroscopy (XPS). The corrosion inhibition behavior was scrutinized through potentiodynamic polarization (PDP) curves and electrochemical impedance spectroscopy (EIS). The results show that functional groups such as aromatic rings, double bonds, and hydroxyls successfully adsorb on the MS surface to form the protective films. ZMBE exhibits a mixed-type corrosion inhibition with a “geometric coverage” effect. The corrosion inhibition efficiency (η) increases with ZMBE concentration and solution temperature, the optimum η with 5.0 g·L−1 ZMBE at 318 K is 96.2 %. The adsorption of active ingredients follows the Langmuir and El-Awady isotherms. Density functional theory (DFT) and molecular dynamics (MD) simulations prove the synergistic effect of complex components in ZMBE and the corrosion inhibition mechanism. ZMBE is a promising acid pickling corrosion inhibitor with broad application prospects.

Synthesis and evaluation of Schiff base as corrosion inhibitor for carbon steel in 1 M HCl solution

Purpose The main purpose of the present study is to introduce new Schiff bases as corrosion inhibitor for carbon steel in 1 M HCl. The inhibitory activity of Schiff base was also assessed. Design/methodology/approach 2,2′-((1Z,1′Z)-((2,2-dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))diphenol was synthesized and it’s performance as an inhibitor was then investigated in 1 M HCl. The inhibition of this compound was studied and evaluated by the chemical methods of electrochemical impedance spectroscopy, electrochemical potential dynamic polarization and Atomic Force microscopy (AFM) method. The thermodynamics parameters were investigated for corrosion of carbon steel in both the absence and presence of Schiff base. Findings The results of the tests showed that this compound has a good performance as an inhibitor and the percentage of inhibition on steel corrosion will increase with increasing concentration and it will reach 70% in the presence of 2 × 10−3 M of this inhibitor. Polarization tests indicated that this compound will act as a mixed inhibitor. Nyquist curves showed that the addition of this substance to the solution increased the charge transfer resistance and decreased the capacity of the double layer. The absorption of the new Schiff base on steel follows Langmuir adsorption isotherm, and the amount of free energy of adsorption indicates the spontaneous adsorption of this inhibitor. Using AFM investigations, the results of electrochemical methods were confirmed. Originality/value Incorporation of a new Schiff base into 1 M HCl is a promising approach for protecting the carbon steel against corrosive solution.

Experimental accompanied with computational (atomic/electronic)-level simulation investigations of Polygonum cuspidatum root extract as sustainable corrosion inhibitor for mild steel in aggressive corrosive media.

This study investigates the corrosion inhibition potential of Polygonum cuspidatum root extract (PCRE) on mild steel in a 0.5M HCl acidic environment. Herein, various techniques including electrochemical and gravimetric measurements were employed, along with scanning electron microscopy (SEM) and contact angle (CA) measurements for surface morphology analysis. The impedance study revealed a concentration-dependent enhancement in corrosion resistance, classifying PCRE as a mixed-type inhibitor (i.e., inhibits both anodic and cathodic reactions). The highest efficiency, 96.71% at 298K, was observed at a 1000-ppm PCRE concentration. Langmuir model computations suggested chemisorption and physisorption of PCRE on the electrode substrate. Increased Rp (from 28.648 to 174.01 Ω) and Rct (185.74 Ω cm2) at 1000ppm demonstrated improved corrosion resistance. Additionally, SEM analysis displayed a uniform, protective surface, reducing metal degradation. Theoretical calculations highlighted strong interactions between PCRE and mild steel, with a low energy gap (ΔE), as follows: 1-O-methylemodin (2.267eV) < emodin (2.288eV) < emodin-1-O-glucoside (2.343eV) < piceid (2.931eV) < resveratrol (2.952eV), confirming PCRE's excellent micro-level anti-corrosion capabilities. This eco-benign corrosion inhibitor offers sustainable, low-toxicity protection, cost-effectiveness, and versatile performance, surpassing commercial counterparts while aligning with sustainability goals.