Corrosion Inhibition Of Mild Steel Research Articles

Sterilized Chicken Feather as Eco-friendly Corrosion Inhibitor for Mild Steel in a Water- Based Drilling Mud – Gravimetric and FTIR Assessment

This research evaluated the corrosion performance of mild steel in sterilized and unsterilized alkaline mud corroding systems using chicken feather powder (CFP) obtained through the usual hydrolysis and acid neutralization protocol. Insightfully, gravimetric analysis revealed that bacterial infestation of the unsterilized environment caused its corrosion performance to be lower at 10.3% while the sterilized counterpart stood at 49% at 92 days of exposure to the environments respectively. The functional groups, C=N, O=C=O, H-C=O etc, revealed by FTIR to be present in the protein saturated feather were overwhelmed by microbial activities rendering them inactive to perform as inhibitors.

Synthesis, Characterization and Theoretical Calculations of a Novel Organic Corrosion Inhibitor for Mild Steel

Abstract Q235 is a carbon structural steel sheet that is widely employed in the construction and engineering sectors due to its cost-effectiveness and durability. Here, A novel organic corrosion inhibitor for Q235 sheet based on furan-thiadiazole (5-amino-2-furyl-1, 3, 4-thiadiazole, AFTZ) has been designed, successfully synthesized and characterized in this work. Results of experimental data and theoretical calculations indicated that AFTZ has an excellent corrosion inhibition property for Q235 sheet in 1.0 mol/L H2SO4. The highest efficiency of corrosion inhibitor tested by weight loss experiment can reach 91.17% and electrochemical experiment was up to 95.85% when AFTZ increased to 2 mg/mL in H2SO4 solution. The morphological characteristics of Q235 sheets with or without corrosion inhibitor showed that the target inhibitor has good corrosion inhibition performance. Quantum computation using the DFT method of guassian09 software and FT-IR date attribute the excellent corrosion inhibition to the film-forming nature of AFTZ.

Insight into the Corrosion Inhibition Performance of Pistia stratiotes Leaf Extract as a Novel Eco-Friendly Corrosion Inhibitor for Mild Steel in 1 M HCl Solution

In this research, the Pistia stratiotes leaf (PSL) extract was evaluated as a green corrosion inhibitor for the corrosion of mild steel in 1 M HCl using electrochemical measurements and surface characterization. Electrochemical impedance spectroscopy (EIS) spectra showed that the inhibitory activity of the phytochemical compounds enhanced with increasing concentration up to 400 ppm, which was reflected in the increase in the charge transfer resistance and double-layer capacitance. Regarding the effect of immersion time, EIS results indicated that the persistence of the PSL extract was between 4 h and 8 h of exposure time. From polarization curve (PCC) results, the best performance of the corrosion inhibitor was achieved at 400 ppm with an inhibition efficiency of 93.7%. The PSL extract acted as a mixed-type corrosion inhibitor. The adsorption of the phytomolecules on the metal surface obeyed the Langmuir isotherm through a mixed mechanism (physical and chemical interactions) dominated by physisorption. Scanning electron microscopy (SEM) examinations and energy-dispersive X-ray spectroscopy (EDS) elemental analysis of the corroded samples confirmed the anticorrosive protection of the PSL extract. Chemical characterization of the PSL extract by GC-MS revealed the presence of phytol, steroids, and aromatic and long-chain unsaturated fatty acid esters, in order of abundance. Chemical quantum calculations by DFT allowed for determining that the phthalic acid, di(2-propylpentyl) ester compound has the most significant potential to act as the main active component in corrosion inhibition activity.

Synthesis of polyaniline tannate-modified carbon nanotubes by oxidative copolymerization as highly efficient corrosion inhibitors for mild steel in HCl solution

Corrosion is a prevalent issue in industrial production, directly impacting the production process and causing severe damages. To mitigate this problem, corrosion inhibitors are highly desired. Herein, a novel type of nano corrosion inhibitor, referred to as PTCNT, was synthesized through an oxidative copolymerization method utilizing aniline, ammonium persulfate (APS), and tannic acid (TA)-modified multiwalled carbon nanotubes (MWCNTs). The results demonstrated that the PTCNT effectively inhibited the corrosion of mild steel in 1 M HCl solution, achieving the corrosion inhibition efficiency of 90.6 % at the concentration of 75 mg/L. Characterization results implied that the PTCNT adsorbed onto the surface of the mild steel, forming a protective shielding layer. Potentiodynamic polarization measurements proved that the PTCNT functioned as the hybrid corrosion inhibitor. Furthermore, the adsorption of PTCNT on the mild steel surface was investigated using adsorption isotherm and adsorption kinetic modeling. Quantum chemical calculations were used to elucidate the adsorption mechanism of PTCNT. These findings raise new avenues for the development of highly efficient corrosion inhibitors for the mild steel in HCl solutions.

Evaluation of 14-(p-tolyl)-14H-dibenzo[a,j]xanthene as a Highly Efficient Organic Corrosion Inhibitor for Mild Steel in 1 M HCl: Electrochemical, Theoretical, and Surface Characterization

Corrosion of mild steel, particularly in acidic environments such as hydrochloric acid (HCl), remains a critical issue due to its impact on material durability, economic costs, and safety concerns. This study introduces 14-(p-tolyl)-14H-dibenzo[a,j]xanthene (ZM5), a novel and highly effective organic corrosion inhibitor, to mitigate this challenge. Employing advanced electrochemical techniques: electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP), we evaluated ZM5’s performance in a 1M HCl solution, revealing an impressive inhibition efficiency of 94.7%. Surface characterization using scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX) further confirmed the formation of a robust protective film on the steel surface, shedding light on ZM5’s adsorption mechanisms. Complementing the experimental findings, Density Functional Theory (DFT) simulations provided theoretical insights into the anti-corrosion mechanism of ZM5, aligning well with observed results. These findings underscore ZM5's potential as a highly promising corrosion inhibitor for industrial applications, effectively enhancing the corrosion resistance of mild steel in aggressive environments.

Comprehensive investigation of novel synthesized thiophenytoin derivative (antiepileptic drug) as an environmentally friendly corrosion inhibitor for mild steel in 1 M HCl: Theoretical, electrochemical, and surface analysis perspectives

This study evaluates the potential of N-(2,6-dimethylphenyl)-2-(5-oxo-4,4-diphenyl-4,5-dihydro-1H-imidazol-2-yl)thio)acetamide (AM16), a novel thiophenytoin derivative used as an antiepileptic drug, as a corrosion inhibitor for mild steel in 1.0 M HCl. The research focuses on AM16’s adsorption behavior and corrosion inhibition efficiency. Electrochemical techniques, including potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), and electrochemical frequency modulation (EFM), were employed to assess the inhibitor’s effectiveness. The results demonstrate that AM16 achieved a corrosion inhibition efficiency of 95.7 %, with its performance improving with increasing concentration. Polarization studies reveal that AM16 acts as a mixed-type inhibitor. The adsorption of AM16 on the steel surface was modeled using the Langmuir adsorption isotherm. Surface analysis via scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS) confirmed the formation of a protective layer. Experimental findings were complemented by density functional theory (DFT)-based calculations. The combined theoretical, experimental, and analytical approaches affirm the efficacy of this molecule as a corrosion inhibitor, achieving a 95.7 % inhibition rate. Polarization studies reveal that the inhibitor acts as a mixed-type inhibitor. Thermodynamic parameters suggest that the molecule chemically adsorbs onto the steel surface, following the Langmuir isotherm.

Synthesis of Schiff bases of 4-methoxybenzyl amine and hydrazide derivatives and their application in corrosion inhibition of mild steel in 1.0 M HCl

In this work, Schiff bases of 4-methoxybenzyl amine and hydrazide derivatives containing succinic (BMSHE), oxalyl (BMOHE), and phenylaceto (BMPHE) have been synthesized and applied for corrosion inhibition of mild steel (MS) in 1.0 M HCl. The synthesized compounds are characterized by Fourier-transform infrared (FTIR) and H1 nuclear magnetic resonance (NMR) spectroscopy. The FTIR and H1 NMR results have confirmed their formation through the presence of functional groups and hydrogen associated with them. Corrosion mitigation examination is done by polarization measurements (PM), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) equipped with energy dispersive X-rays (EDX), and atomic force microscopy (AFM). All inhibitors demonstrated notable efficacy in preventing MS in HCl (BMSHE-88%, BMOHE-84%, and BMPHE-72%). As per corrosion potentials, BMOHE and BMPHE have been found to be mixed types of inhibitors, and BMSHE is noticed as a cathodic inhibitor. The SEM results demonstrated how these hydrazide derivatives prevented corrosion by covering the MS surface. The EDX analysis of the surfaces has revealed that the inhibited MS contains lower amounts of O and Cl, which indicate that the inhibitors prevent MS in HCl. AFM analysis shows that the surfaces of MS in the presence of the inhibitors are damaged less than in their absence, which reveals the same facts as told above. The inhibition of MS by BMSHE, BMOHE, and BMPHE is also explained with a reason after analyzing the results.

Synthesis, characterization and performance of ecofriendly epoxy resin as a highly efficient corrosion inhibition for mild steel in 1m HCl solution

In this study, a novel epoxy resin called tetraglycidyl ether of methyl-α-D-mannopyranoside (TGEMM) was synthesized and investigated for its potential used as a corrosion inhibitor for mild steel in a 1.0 M hydrochloric acid (HCl) solution. The main goal was to evaluate the corrosion inhibition properties of TGEMM using various techniques. The methods used in this research included potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), temperature effect, scanning electron microscopy, energy dispersive X-ray spectroscopy, atomic force microscopy and contact angle measurement. These techniques were chosen to comprehensively assess the corrosion inhibition performance of TGEMM on MS. In this context, the structure of the newly synthesized TGEMM epoxy resin was identified and confirmed using Fourier transform infrared spectroscopy (FTIR) and nuclear magnetic resonance (NMR). The results obtained from the experiments demonstrated that, at a lower concentration of 10−3 M, TGEMM demonstrated a high inhibitory efficacy of 91.49%, assessed via electrochemical impedance spectroscopy (EIS), and 93.84%, measured via potentiodynamic polarization (PDP), in a 1.0 M hydrochloric acid solution. The PDP data indicated that the TGEMM epoxy resin acted as an anodic inhibitor in the acidic environment. In addition to gain insights into the interaction mechanism and adsorption mode, DFT and MD simulations were conducted, revealing valuable information about the interaction of TGEMM with the mild steel surface.

Innovative 8-hydroxyquinoline derivatives as corrosion inhibitors for mild steel in hydrochloric acid: a quantum chemical and experimental study

ABSTRACT This study explores the inhibitory action of two novel organic compounds, namely diethyl 1-((8hydroxyquinolin-5-yl)methyl)−2,6-dimethyl-4-(p-tolyl)−1,4-dihydropyridine-3,5-dicarboxylate (PR1) and diethyl 1-((8-hydroxyquinoline-5-yl) methyl)−2,6-dimethyl-4-(4-nitrophenyl)−1,4dihydropyridine-3,5-dicarboxylate (PR2), on mild steel (MS) corrosion in 1M HCl. Using a combination of quantum chemical and experimental methodologies, the study evaluates the performance of these inhibitors through electrochemical techniques, including potentiodynamic polarisation (PDP) and electrochemical impedance spectroscopy (EIS), complemented by surface analysis via scanning electron microscopy (SEM) and X-ray electron microscopy (EDX). Key findings reveal that both PR1 and PR2 exhibit a significant rise in protection performance with concentration, reaching an impressive peak of 95.3% at 10−3 M for PR2. The inhibitors demonstrate mixed-type inhibition properties and adhere to the Langmuir adsorption isotherm. Detailed surface analysis confirms the creation of a defensive film on the metal surface, correlating with the observed electrochemical results.

Exploring the performance of Coriandrum sativum extract as an effective corrosion inhibitor for mild steel in a [formula omitted] medium, and its sustainable application in the eco-friendly removal of heavy metals

This research investigated the performance of coriander seeds, for the first time, in two critical phenomena: wastewater treatment and corrosion inhibition in acidic environments. On one hand, the aqueous extracts from Coriandrum sativum seeds (CE) were evaluated for mild steel corrosion inhibition in a 2.0 M phosphoric acid medium using several techniques such as phytochemical analysis (GC-MS), potentiodynamic polarization, electrochemical impedance spectroscopy, scanning electron microscopy (SEM-EDAX) and theoretical analyses, including DFT calculations and Molecular Dynamic Simulations, further elucidated the major chemical components. First, the phytochemical analysis has proved that CE contains heteroatoms. Second, the electrochemical results indicate that CE behaves as a mixed type inhibitor and the corrosion reaction is controlled by charge transfer process. Finally, The theoretical calculations confirmed that the active compounds of CE can be adsorbed on the Fe (1 1 0) surface through physical patterns and by sharing charges with iron to form coordinate bonds. The acquired results have shown a strong correlation between corrosion inhibition efficiency that was about 93 %, SEM-EDAX and DFT parameters. On the other hand, the study examined coriander seeds (CS) in powder form as a removal of copper ions in aqueous solutions through Atomic Absorption Spectroscopy and Inductively Coupled Plasma analysis. The parametric study was effectuated by establishing the effect of contact time, adsorbent mass, solution pH and stirring speed. The removal rate was about 79 %. Regeneration studies showed that CS could be reused for five cycles without significant loss of effectiveness. SEM-EDAX analysis has proved the studied process.

First Principles Investigations of Mild Steel Corrosion Inhibition by Dopamine Derivatives in HCl Solution

First Principles Investigations of Mild Steel Corrosion Inhibition by Dopamine Derivatives in HCl Solution

Synthesis, Characterization, Theoretical, and evaluation of Eco-Friendly benzimidazolylmethyl-pyrazole carboxylate Schiff Bases corrosion inhibitors for mild steel

In this study, benzimidazolylmethyl-pyrazole carboxylate derivatives were synthesized via a 1,3-dipolar cycloaddition reaction and characterized using IR, HRMS and NMR spectroscopy. Three derivatives, namely ethyl 5-((3-(cyclohex-1-en-1-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-1-phenyl-1H-pyrazole-3-carboxylate (Ph-BPC), ethyl 5-((3-(cyclohex-1-en-1-yl)-2-oxo-2,3-dihydro- 1H-benzo[d]imidazol-1-yl)methyl)-1-(p-tolyl)-1H-pyrazole-3-carboxylate (CH3Ph-BPC), and ethyl 1-(4-chlorophenyl)-5-((3-(cyclohex-1-en-1-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)methyl)-1H-pyrazole-3-carboxylate (ClPh-BPC), were evaluated as corrosion inhibitors for mild steel (MS) in a 1 M HCl solution. Potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) measurements revealed high inhibition efficiencies of 98.5 %, 98.2 %, and 97.7 % for ClPh-BPC, Ph-BPC, and CH3Ph-BPC, respectively, at a concentration of 10-4 M. Scanning electron microscopy (SEM), energy-dispersive X-ray (EDX) and X-ray diffraction (XRD) analyses confirmed the formation of protective surface layers, significantly reducing corrosion rates. Thermodynamic analysis indicated that the adsorption of these inhibitors follows the Langmuir isotherm model with adsorption energies of −50.12 kJ/mol for ClPh-BPC, −50.52 kJ/mol for Ph-BPC, and −51.62 kJ/mol for CH3Ph-BPC, suggesting chemisorption. Computational studies, including Monte Carlo (MC), density functional theory (DFT), and molecular dynamics (MD) simulations, showed strong agreement with experimental results, further validating the adsorption behavior and corrosion inhibition mechanisms of these compounds.

Dichloromethane -methanol fraction of Mahonia nepalensis containing Berberine, Jatrorrhizine, and tetrahydroberberine as corrosion inhibitor for mild steel

A potentially superior alternative source of environmentally acceptable corrosion inhibitors for metallic materials is plant extracts. This study reports on the use of compounds separated from Mahonia nepalensis (MN) bark extract as an environmentally friendly corrosion inhibitor for mild steel (MS) in 1 M H2SO4. The organic layer was separated from MN bark extracts and then Berberine, Jatrorrhizine, and Tetrahydroberberine were identified and quantified by Liquid column mass spectroscopy (LC-MS) in dichloromethane (DCM) −Methanol fraction of Mahonia nepalensis. The DCM − Methanol fraction of extract was characterized by Ultra violet − visible spectroscopy (UV–Vis) and Fourier Transform Infrared (FTIR). The DCM-Methanol fractions in 1 M H2SO4 were applied to study corrosion inhibition of MS by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). The results showed above 91 % inhibition efficiency (IE) for DCM-Methanol fraction containing 2.12 ppm berberine, jatrorrhizine, and tetrahydroberberine at room temperature indicating that it is an effective and cheap candidate for the corrosion prevention of MS in industry. The potentiodynamic polarization demonstrated a reduction in current density without affecting the reaction mechanism but reduced the hydrogen reduction indicated by suppression in cathodic current. Based on polarization curves and open circuit potential, it exhibited mixed inhibitory behavior. Similarly, EIS analysis revealed a drop in double-layer capacitance accompanied by an increase in charge transfer resistance. EIS and a scanning electron microscope (SEM) with energy dispersive X-ray spectroscopy (EDX) ascertain the adsorption of inhibitor molecules forming a protective layer on the MS surface.

A combined experimental and theoretical study into the effect of new heterocyclic compound containing β-lactam ring as corrosion inhibitor for mild steel in hydrochloric acid

In this study, a new corrosion inhibitor termed 2-(3-chloro-2-(4-hydroxy-3, 5-dimethoxyphenyl)-4-oxoazetidin-1-yl)-1-methyl-1H-imidazole-4(5H)-one (COMI) has been synthesized, diagnosed, and tested as a potential candidate for mild steel corrosion prevention in 1M HCl. The research combined experimental and theoretical approaches. Experimentally, weight loss, electrochemical tests, FTIR, 1H NMR, 13C NMR, EDS, surface morphology analysis, hardness assessments, thermal stability studies, and contact angle measurements were conducted. Computationally, density functional theory (DFT) and an inhibitory mechanism were proposed to explain the inhibitor–metal surface interactions. The study demonstrated that COMI significantly reduced corrosion rates in 1M HCl, achieving an inhibition efficiency of 98.42% at a concentration of 80 ppm and a temperature of 60 °C. The inhibitor was found to form a protective layer on the mild steel surface, influencing both anodic and cathodic corrosion processes. This protective layer formed spontaneously, consistent with the Langmuir adsorption isotherm. The Gibbs free energy (ΔGads) was calculated to be −28.81 kJ/mol, indicating that COMI adsorbed spontaneously onto the mild steel surface through both physical and chemical adsorption mechanisms. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) images confirmed the existence of this protective layer. The addition of 80 ppm COMI reduces the surface roughness from 2.12 to 0.28 μm. Computational studies further validated the experimental findings, confirming the formation of bonds between COMI and the mild steel surface.

1-Hexadecyl-3-methylimidazolium tetrachloroindate ionic liquid as corrosion inhibitor for mild steel: Insight from experimental, computational, multivariate statistics and multi-quadratic regression based machine learning model

1-Hexadecyl-3-methylimidazolium tetrachloroindate ionic liquid as corrosion inhibitor for mild steel: Insight from experimental, computational, multivariate statistics and multi-quadratic regression based machine learning model

Synthesis, characterization and corrosion inhibition evaluation of a new chalcone derivative 2-3-(3-hydroxyphenyl)-1-[4-(1H-imidazol-1-yl) phenyl] prop-2-en-1-one for mild steel corrosion in 1M HCl assessment with DFT and MD studies

The prime objective of the work focuses on the synthesis of novel chalcone derivative, the 2-3-(3-hydroxyphenyl)-1-[4-(1H-imidazol-1-yl) phenyl] prop-2-en-1-one (HIPP) and study its corrosion inhibition for mild steel in 1M HCl. Various spectroscopic techniques such as IR, 1H-NMR, 13C-NMR, and mass spectroscopy were used to confirm the formation of the synthesized chalcone. Distinct electrochemical techniques like potentiodynamic Tafel polarization and impedance spectroscopy were employed to investigate HIPP in 1M HCl as a mild steel corrosion inhibitor. The synthesized chalcone was checked in a temperature range varying from 30o C to 60o C. With increasing quantities of HIPP, it is noticed that there is an enhancement in calculated corrosion inhibition efficiency. The maximum inhibition efficiency obtained was found to be 94.3 % in the presence of 100 ppm at room temperature. Surface morphology of unhindered and inhibited HIPP was analysed using scanning electron microscopy (SEM), atomic force microscopy (AFM) and water contact angle (WCA) measurements. SEM investigation revealed that the inhibitor effectively protects the metal surface from aggressive corrosion. Atomic force microscopic images show the corroded MS surface roughness in the presence of HIPP reduced from 342.1 nm to 174.3 nm. Furthermore, the inhibitor's adsorption through electron-donor acceptor interactions was revealed by DFT calculations and MD studies.

Exploring the Corrosion Potential of Three Bio-Based Furan Derivatives on Mild Steel in Aqueous HCl Solution: An Experimental Inquiry Enhanced by Theoretical Analysis.

This research deals with the corrosion inhibition of mild steel in a highly corrosive aqueous HCl medium with a concentration of 0.5 M, using three different corrosion inhibitors: furan-2-carboxylic acid (1), furan-2,5-dicarboxylic acid (2), and furan-2,5-diyldimethanol (3). Various electrochemical tests, such as potentiodynamic polarization (PP or Tafel curve) and electrochemical impedance spectroscopy, were systematically performed. The experimental results underscore the remarkable corrosion mitigating properties of inhibitors 1-3 on mild steel, showing inhibition efficiencies of 97.6, 99.5, and 95.8%, respectively, at a concentration of 5 × 10-3 M and temperature T = 298 K. Notably, the inhibition efficiency of each inhibitor 1-3 shows a positive correlation with its concentration. In addition, consistent results from all electrochemical methods confirm that 1-3 act as mixed inhibitors. These findings remain robust across different experimental techniques, ensuring the reliability and comprehensiveness of the results. Theoretically, the inhibitors were optimized using the Density Functional Theory/B3LYP/6-311++G(d,p) method in gas and aqueous phase to evaluate their reactivity and stability. Among them, compound 2 stands out for its enhanced reactivity and stability, highlighted by optimal EHOMO and ELUMO values. Negative electrostatic potential mapping suggests potential reaction centers, while Fukui functions reveal localized sites of reactivity, supported by a favorable electronic distribution and specific interactions with metal surfaces. Reduced density gradient analysis also confirms the suitability of this compound for noncovalent interactions, in agreement with experimental data.These theoretical results are in good agreement with experimental data, confirming the excellent performance of compound 2 as a corrosion inhibitor.

Maleic hydrazide derivative as green corrosion inhibitor for Q235 mild steel in 1 M HCl: synthesis, experiments and theoretical studies

In this study, a novel maleic hydrazide derivative (NOMAM) containing multiple reactive groups was realized. Corrosion experiments show that its corrosion inhibition efficiency reached 95.12 % at 0.2 g L−1 and a maximum of 97.01 % at 0.5 g L−1 on Q235 mild steel in 1 M HCl. Scanning electron microscopy (SEM) and confocal laser scanning microscopy (CLSM) have also confirmed its excellent inhibition performance. Density functional theory (DFT) calculations and molecular dynamics (MD) simulations show that maleic hydrazide derivative molecules adsorb onto the mild steel surface with heteroatoms as reactive sites to form hydrophobic protective barriers. Thermodynamic results show that adsorption follows the Langmuir isotherm and is a hybrid type dominated by chemisorption. The derivative is micro-effective with simple and inexpensive synthesis process. This work could provide a reference for green corrosion inhibitors on mild steel.

Exploring the Effectiveness of 3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole as a Eco-Friendly Corrosion Inhibitor for Mild Steel in HCl Solution: Experimental and DFT Analysis

Corrosion is a significant issue in many industries, particularly where metals are exposed to harsh chemical environments. This study investigates the efficacy of 3-Chloro-4-morpholin-4-yl-1,2,5-thiadiazole (CMTD) as a corrosion inhibitor for mild steel in 1 M HCl solution across a temperature range of 303–333 K. Using weight loss measurements, electrochemical impedance spectroscopy (EIS), and potentiodynamic polarization techniques, the inhibition efficiency of CMTD was evaluated at different concentrations and temperatures. The results show that CMTD achieves a maximum inhibition efficiency of 96.8% at a highest inhibitor concentration, even at elevated temperatures. The adsorption of CMTD on the mild steel surface follows the Langmuir adsorption isotherm, with a calculated free energy of adsorption (ΔGads) of -39.5 kJ/mol, confirming a spontaneous chemisorption process. Quantum chemical Density Functional Theory (DFT) studies further elucidated the relationship between CMTD's molecular structure and its inhibition efficiency. Key parameters, including the energy gap (Egap = 3.551 eV), highest occupied molecular orbital (EHOMO = -6.317 eV), and lowest unoccupied molecular orbital (ELUMO = -2.766eV), were calculated to understand CMTD's reactivity. Additionally, global reactivity descriptors such as chemical hardness (η), electronegativity (χ), and the electron fraction transferred (ΔN) from CMTD to the iron surface were analyzed. These findings suggest that CMTD is highly effective in preventing corrosion and can be applied in industries where mild steel is exposed to acidic environments, such as in petrochemical and industrial cleaning processes.

Synthesis of a new quaternary ammonium salt for efficient inhibition of mild steel corrosion in 15 % HCl: Experimental and theoretical studies

The corrosion phenomenon and its economic impacts can hardly be ignored in any application. This study synthesized a quaternary ammonium salt (3) containing hydrophobic dodecyl and electron-rich diallylbenzyl amine moieties to be used in 15 % HCl as a corrosion inhibitor of mild steel. Several techniques, such as 1H and 13C NMR, IR, TGA, and elemental analysis, have been used to characterize inhibitor 3. Popular corrosion measurement techniques, namely weight loss, potentiodynamic polarization techniques, and electrochemical impedance spectroscopy, have been used to determine the efficiency of inhibitor 3. At 303 K and a moderately low concentration of 50 ppm, the quaternary ammonium salt-based inhibitor demonstrated a maximum efficiency of ≈95.0 %. At elevated temperatures of 313, 323, and 333 K, the inhibition efficacy values were recorded as 91.3, 82.8, and 75.0 %, respectively. Adsorption isotherm study revealed that the adsorption of inhibitor 3 followed Langmuir adsorption isotherm. The value of ΔGads° was found to be – 40.19 kJ mol−1, indicating that inhibitor 3 became adsorbed via a mixed physi-chemisorption mechanism. A very high adsorption constant (Kads) of 1.53 × 105 L mol−1 suggested strong adsorption of inhibitor 3. The difference in activation energy (Ea) value of 42.4 kJ mol−1 between the control and the inhibited solution indicated an efficient adsorption of inhibitor 3. The ability of inhibitor 3 to retard both anodic and cathodic half-cell reactions was proved via open circuit potential and Tafel curves studies. Detailed discussions on the change in corrosion current densities (icorr), polarization (Rp) and charge transfer (Rct) resistances have been offered to discuss the inhibition efficiency. Water contact angle measurement showed a drastic increase in mild steel surface hydrophobicity following inhibitor 3 adsorption. SEM-EDX and XPS studies confirmed the definitive presence of inhibitor 3 on the mild steel surface. Density functional theory (DFT) studies revealed the frontier molecular orbitals with which the metal surface interacts. A detailed corrosion inhibition mechanism has been offered in the context of adsorption isotherm and DFT studies.