Experimental, quantum chemical calculations, and molecular dynamic simulations insight into the corrosion inhibition properties of 2-(6-methylpyridin-2-yl)oxazolo[5,4-f][1,10]phenanthroline on mild steel

2-(6-Methylpyridin-2-yl)oxazolo[5,4-f][1,10]phenanthroline (MOP) was synthesized and characterized by elemental analysis and Fourier-transform infrared (FT-IR), ¹H nuclear magnetic resonance (NMR), and ¹³C NMR spectra. MOP was evaluated as a corrosion inhibitor for carbon steel in 0.5 M H₂SO₄ solution using the standard gravimetric technique at 303–333 K. Quantum chemical calculations and molecular dynamic (MD) simulations were applied to analyze the experimental data and elucidate the adsorption behavior and inhibition mechanism of MOP. Results obtained show that MOP is an efficient inhibitor for mild steel in H₂SO₄ solution. The inhibition efficiency was found to increase with increase in MOP concentration but decreased with temperature. Activation parameters and Gibbs free energy for the adsorption process using statistical physics were calculated and discussed. The adsorption of MOP was found to involve both physical and chemical adsorption mechanisms. Density functional theory (DFT) calculations suggest that nitrogen and oxygen atoms present in the MOP structure were the active reaction sites for the inhibitor adsorption on mild steel surface via donor–acceptor interactions between the lone pairs on nitrogen and oxygen atoms together with the π-electrons of the heterocyclic and the vacant d-orbital of iron atoms. The adsorption of MOP on Fe (1 1 0) surface was parallel to the surface so as to maximize contact, as shown in the MD simulations. The experiments together with DFT and MD simulations provide further insight into the mechanism of interaction between MOP and mild steel.     

Synthesis,characterization and corrosion inhibition efficiency of 2-(6-methylpyridin-2-yl)-1H-imidazo[4,5-f][1,10] phenanthroline on mild steel in sulphuric acid

Phenanthroline derivative, 2-(6-methylpyridin-2-yl)-1H-imidazo[4,5-f][1,10] phenanthroline (MIP) was synthesized and characterized by elemental analysis, FT-IR, ¹H NMR, ¹³C NMR, and single crystal X-ray diffraction study. MIP was evaluated as corrosion inhibitor for mild steel in 0.5 M H₂SO₄ solution using gravimetric and UV–Visible spectrophotometric methods at 303–333 K. Results obtained show that MIP acts as inhibitor for mild steel in H₂SO₄ solution. The inhibition efficiency was found to increase with increase in MIP concentration but decreased with temperature. Activation parameters and Gibbs free energy for the adsorption process using statistical physics were calculated and discussed. The UV–Visible absorption spectra of the solution containing the inhibitor after the immersion of mild steel specimen indicate the formation of a MIP-Fe complex.     

The effect of 2-aminoquinoline-6-carboxylic acid on the corrosion behavior of mild steel in hydrochloric acid

The inhibitive effect of 2-aminoquinoline-6-carboxylic acid (AQC) against mild steel corrosion in 1?M HCl solutions was investigated using conventional weight loss, potentiodynamic polarization, linear polarization and electrochemical impedance spectroscopy methods. The weight loss results showed that AQC is an excellent corrosion inhibitor since its efficiency increased with the concentration to attain 91.8?% at 500?mg?l^?1. Electrochemical polarization measurements revealed that AQC acted as a mixed-type inhibitor and the results of electrochemical impedance spectroscopy have shown that the change in the impedance parameters, charge transfer resistance and double layer capacitance, with the change in concentration of the inhibitor is due to the adsorption of the molecule leading to the formation of a protective layer on the surface of mild steel. The adsorption was assumed to occur on the steel surface through the active centers of the molecule. The inhibition action of AQC was discussed in view of Langmuir adsorption isotherm. Density functional theory calculations of quantum parameters were used to explain efficiency in relation with molecular structure.     

Corrosion inhibition performance of 2-ethyl phenyl-2, 5-dithiohydrazodicarbonamide on Fe (110)/Cu (111) in acidic/alkaline solutions: Synthesis,experimental, theoretical,and molecular dynamic studies

Herein, 2-ethyl phenyl-2,5-dithiohydrazodicarbonamide (2EPDCA) was synthesised and tested as a corrosion inhibitor for mild steel (MS) and copper (Cu) in 1 M HCl and 3.5% NaCl, respectively. Fourier transform infrared spectroscopy (FT-IR) and (NMR) nuclear magnetic resonance (¹H, ¹³C) were used to identify the chemical structure. Both experimental and computational approaches have been conducted to evaluate inhibitor efficiency on both metal systems. The electrochemical results showed that the 2EPDCA inhibition efficiency for MS systems was 95% at 1 × 10^?2 M, while in copper systems it was 97.5% at 1 × 10^?2 M. The Langmuir adsorption isotherm was fitted using adsorption surface coverage data, and for inhibitor in both systems, the kind of adsorption was mixed (physisorption and chemisorption). Through scanning electron microscopy (SEM), EDX, and atomic force microscopy (AFM) tests, we have confirmed the presence of the inhibitor molecules on the metal surface in both systems. Quantum chemistry simulations indicate that the superior corrosion inhibition efficacy of 2EPDCA on copper compared to mild steel surfaces is attributable to the former's greater electron donating propensity on copper. The adsorption of 2EPDCA molecules on Fe (110) and Cu (111) surfaces was further verified by molecular dynamic simulations, with the former having a greater adsorption energy. The results indicate that the corrosion inhibitor was effective even in harsh conditions, and it can be thought of as a novel corrosion inhibitor for mild steel and copper that provides good protection.     

Experimental and theoretical investigations of adsorption of fexofenadine at mild steel/hydrochloric acid interface as corrosion inhibitor

The present study examines the effect of fexofenadine, an antihistamine drug, on corrosion inhibition of mild steel in molar hydrochloric acid solution using different techniques under the influence of various experimental conditions. Results revealed that fexofenadine is an effective inhibitor and percent inhibition efficiency increased with its concentration; reaching a maximum value of 97% at a concentration of 3.0 × 10⁻⁴ M. Fourier-transform infrared spectroscopy (FTIR) observations of steel surface confirmed the protective role of the studied drug. Polarization studies showed that fexofenadine is a mixed-type inhibitor. The adsorption of the inhibitor on mild steel surface obeyed the Langmuir adsorption isotherm with free energy of adsorption (∆G°_ads) of −40 kJ mol⁻¹. Energy gaps for the interactions between mild steel surface and fexofenadine molecule were found to be close to each other showing that fexofenadine has the capacity to behave as both electron donor and electron acceptor. The results obtained from the different corrosion evaluation techniques are in good agreement.     

Study on the Inhibition of Mild Steel Corrosion by Cationic Gemini Surfactant in 1 M HCl

The cationic gemini surfactant 1,2-bis(N-tetradecyl-N,N-dimethylammonium)ethane dibromide (14-2-14) was synthesized using a previously described method. The surfactant was characterized using ¹H NMR. The corrosion inhibition effect of 14-2-14 on mild steel in 1 M HCl at temperatures 30–60°C was studied using weight loss measurements, potentiodynamic polarization measurements and electrochemical impedance spectroscopy. Morphology of the corroded mild steel specimens was examined using scanning electron microscopy (SEM). The results of the studies show that gemini surfactant is an efficient inhibitor for mild steel corrosion in 1 M HCl; the maximum inhibition efficiency (IE) of 98.06% is observed at surfactant concentration of 100 ppm at 60°C. The %IE increases with the increasing inhibitor concentration and temperature. The adsorption of inhibitor on the mild steel surface obeys Langmuir adsorption isotherm. SEM studies confirmed smoother surface for inhibited mild steel specimen.     

Adsorption and inhibition properties of Tephrosia Purpurea as corrosion inhibitor for mild steel in sulphuric acid solution

Abstract

The present study investigated the adsorption and inhibition behavior of leaf extract of Tephrosia Purpurea (T. purpurea) on mild steel corrosion in 1?N H₂SO₄ solution using electrochemical and surface morphological methods. Techniques adopted for electrochemical studies were Potentiodynamic Polarization and Electrochemical Impedance Spectroscopy (EIS) technique; and surface morphological studies were carried out using Scanning Electron Microscopy (SEM), and Atomic Force Microscopy (AFM). The leaf extract of T. purpurea was characterized using UV-Visible spectroscopy (UV-Vis), Fourier-Transform Infrared Spectroscopy (FT-IR), Nuclear Magnetic Resonance Spectroscopy (NMR) and Gas Chromatography – Mass Spectrometry (GCMS). The results obtained from electrochemical studies exhibited the potential of T. purpurea as good corrosion inhibitor. And, it was found that, the inhibition efficiency (I.E in %) increases with increase in concentration of the inhibitor molecules, the optimum inhibitor concentration observed was 300?ppm and the inhibition efficiency of 93% was observed at this inhibitor concentration. Above 300?ppm, there was not much changes in inhibition efficiency. Polarization studies provided the information that the inhibition is of mixed type and EIS confirmed that the corrosion process is controlled by single charge transfer mechanism. And, it was obtained that, the adsorption of inhibitor molecules obeys Langmuir adsorption isotherm. The inhibition is mainly by the adsorption of inhibitor molecules on the mild steel electrode surface, which was confirmed by FT-IR, SEM and AFM studies. Through all the experimental results, it can be arrived that, the leaf extract of T. purpurea performed as a good corrosion inhibitor for mild steel in 1?N sulfuric acid medium.     

Charge transfer resistance of nitro substituted dibenzalacetone on mild steel against acid attack

Corrosion of metals is a serious industrial problem due to its impact on economic losses and irresistible structural damage. In this work, dibenzalacetone derivatives 1, 5-bis (2-nitrophenyl)-1, 4- pentadien -3-one (BPDO) are employed as controlling agents on mild steel in 1 M H₂SO₄. The effect of BPDO on reducing corrosion of mild steel was analyzed using electrochemical and non-electrochemical methods. From experimental results, it is proved that the protection efficiency increases with enhance in BPDO concentration and diminishes with enlarge in temperature. BPDO is an effective corrosion inhibitor with a 98.64% inhibition efficiency at only 300 ppm concentration. IE diminishes as exposure time increases due to a decrease in the stability of the adsorbed BPDO on the metal surface. The results of Tafel polarization measurements revealed that BPDO acts as a mixed type inhibitor. In both the polarization and Electrochemical Impedance tests, 308K and 300 ppm of BPDO were used, yielding maximal inhibition efficiencies of 98.41% and 97.57% respectively. Langmuir adsorption isotherm is found to be the most suitable way to explain the adsorption of BPDO on the surface of mild steel. Physisorption is proposed from the values of ΔG_ads. Formation of a protective layer on mild steel surface was affirmed by various spectroscopic studies.     

A study of synthesized Mannich base inhibition on mild steel corrosion in acid medium

1((Cyclohexylamino)methyl)urea Mannich base was synthesized and characterized using FT-IR, H¹NMR and C¹³NMR spectra and it was tested as a corrosion inhibitor for mild steel in 1?N HCl and 1?N H₂SO₄ solutions using potentiodynamic polarization and AC impedance techniques over the temperature range of 303?C333?K. The inhibition efficiency was increased with respect to concentration of inhibitor and temperature in 1?N HCl, whereas the inhibition efficiency was increased with respect to concentration of inhibitor and decreased with respect to temperature in 1?N H₂SO₄. Potentiodynamic polarization results revealed that the inhibitor acts as mixed type inhibitor. AC impedance study indicates that the corrosion of steel was mainly controlled by a charge transfer process. Surface analysis was carried out using SEM technique. The adsorption of inhibitor follows Langmuir adsorption isotherm. Activation and adsorption parameters were calculated to gain information about the inhibitive action mechanism.     

Electrochemical investigation of a schiff base synthesized by cinnamaldehyde as corrosion inhibitor on mild steel in acidic medium

The inhibiting effect of (NE)-4-phenoxy-N-(3-phenylallylidene) aniline (PAC) on the corrosion of mild steel in 1.0 M HCl has been studied by electrochemical impedance spectroscopy, and Tafel polarization measurements. The corrosion rate was also calculated theoretically in terms of mm per year and mil per year, using current density values of mild steel in 1.0 M HCl medium. It was found that PAC has a remarkable inhibition efficiency on the corrosion of mild steel especially at high temperatures. The values of E _a obtained in presence of a Schiff base were found to be lower than those obtained in the inhibitor-free solution. The increase of inhibition efficiency percent with temperature increase was associated with the transformation of physical adsorption into chemical adsorption. The thermodynamic functions of adsorption processes have been evaluated and discussed at each temperature. Scanning electron microscope observations of the electrode surface confirmed the existence of a protective adsorbed film of the inhibitor on the electrode surface.     

Adsorption and Corrosion Inhibition Behavior of L-Cystine and Synergistic Surfactants Additives on Mild Steel in 0.1 M H2SO4

The adsorption and corrosion inhibition behavior of mild steel in 0.1 M H₂SO₄ in presence of L-cystine and L-cystine in combination with surfactants sodium dodecyl sulfate and cetyltrimethyl ammonium bromide at 30–60°C was investigated using weight loss and potentiodynamic polarization measurements. Inhibition efficiency of L-cystine is synergistically enhanced on addition of surfactants. Surface morphology of corroded steel samples was evaluated using scanning electron microscopy and atomic force microscopy, which further confirmed the existence of an adsorbed protective film on the mild steel surface. Calculated thermodynamic parameters reveal that adsorption process is spontaneous and obey Langmuir adsorption isotherm.     

Adsorption and Corrosion Inhibition Effect of 1,1′-Thiocarbonyldiimidazole on Mild Steel in H2SO4 Solution and Synergistic Effect of Iodide Ion

The inhibition effect of 1,1′-thiocarbonyldiimidazole (TCDI) on the corrosion behaviors of mild steel (MS) in 0.5 mol·L⁻¹ H₂SO₄ solution was studied with the help of potentiodynamic polarization, electrochemical impedance spectroscopy (EIS), and linear polarization resistance (LPR) techniques. The effect of immersion time on the inhibition effect of TCDI was also investigated over 72 h. For the long-term tests, hydrogen evolution with immersion time (V_H2-t) was measured in addition to the three techniques already mentioned. The thermodynamic parameters, such as adsorption equilibrium constant (K_ads) and adsorption free energy (ΔG_ads) values, were calculated and discussed. To clarify inhibition mechanism, the synergistic effect of iodide ion was also investigated. The potential of zero charge (PZC) of the MS was studied by electrochemical impedance spectroscopy method, and a mechanism of adsorption process was proposed. It was demonstrated that inhibition efficiency increased with the increase in TCDI concentration and synergistically increased in the presence of KI. The inhibition efficiency was discussed in terms of adsorption of inhibitor molecules on the metal surface and protective film formation.     

Synthesis of polyaspartic acid-glycidyl adduct and evaluation of its scale inhibition performance and corrosion inhibition capacity for Q235 steel applications

In this work, the development of the eco-friendly comprehensive scale and corrosion inhibitor based on green polyaspartic acid (PASP) was presented. In this view, PASPG was prepared by a ring-opening graft modification reaction of polysuccinimide (PSI) with glycidyl. In addition, the molecular structure and the thermal stability of PASPG were characterized by using three different methods (FTIR, ¹H NMR, and TGA). PASPG’s scale inhibition efficiency and corrosion inhibition efficiency were also evaluated, respectively. More concretely, the scale inhibition efficiency of PASPG achieved 94.6 % and 95.1 % for CaCO₃ and CaSO₄, respectively. With the aid of the FTIR and SEM measurement techniques, it was found that PASPG could induce the irregular growth of the CaCO₃ and CaSO₄ morphology and destroy the formation of crystals. On the other hand, the higher corrosion efficiency of 85.17 % was achieved by PASPG in comparison with PASP (72.53 %). PASPG is a mixed inhibitor and the adsorption of PASPG on the Q235 steel surface followed the Langmuir mono-layer adsorption isotherm. The formation of a protective film on the surface of carbon steel was proved by PASPG’s adsorption, which increased the resistance to be eroded. Thus, the surface of carbon steel can be effectively protected. The present work provides a simple and effective pathway for the synthesis of high-efficiency green scale and corrosion inhibitor, by introducing a functional group into the PASP chains. The implementation of such type of chemical modification method may also be an effective strategy for improving the efficiency of other polymers green scale and corrosion inhibitors.     

CO_2体系中咪唑啉季铵盐与十二烷基磺酸钠之间的缓蚀协同效应

采用失重法、电化学阻抗谱(EIS)、极化曲线、X射线光电子能谱仪(XPS)及扫描电子显微镜(SEM)研究了CO2饱和的3.5%NaCl腐蚀介质中,咪唑啉季铵盐(IAS)与十二烷基磺酸钠(SDSH)对Q235钢的缓蚀协同效应.结果表明,IAS与低浓度SDSH在腐蚀介质中具有较好的缓蚀协同效应,且当二者以1:1(50 mg·L-1:50 mg·L-1)的浓度比例复配时,协同效应最明显,缓蚀率为88.5%;而IAS与高浓度SDSH间会产生拮抗效应.本文通过建立合理的吸附模型,阐述了协同效应及拮抗效应的机理.SDSH与IAS在Q235钢表面的吸附过程均为放热的自发过程,前者符合Frumkin吸附模型,后者符合Temkin吸附模型.单独使用较高浓度的SDSH对Q235钢也有较好的缓蚀作用,缓蚀率接近90%.     

新型咪唑啉化合物在H_2S/CO_2共存条件下对Q235钢的缓蚀性能

合成了一种新型咪唑啉化合物1-(2-氨基-硫脲乙基)-2-十五烷基-咪唑啉(IM-S),并通过失重法、电化学方法及扫描电镜等研究了IM-S在H2S/CO2共存条件下对Q235钢的缓蚀性能,探讨了其在Q235钢表面的吸附行为.结果显示,IM-S具有较好的抗H2S、CO2腐蚀能力,能同时抑制碳钢腐蚀的阴、阳极反应过程,最高缓蚀效率可达92.74%.缓蚀剂在Q235钢表面呈单分子层吸附,属于以化学吸附为主的混合吸附.最后采用量子化学方法对IM-S的缓蚀机理做了进一步分析.     

Monte Carlo simulation and electrochemical performance corrosion inhibition whid benzimidazole derivative for XC48 steel in 0.5 M H2SO4 and 1.0 M HCl solutions

The inhibition of 1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzimidazole (MMB) on corrosion of XC48 steel in solutions 1.0 M HCl and 0.5 M H₂SO₄ were studied by potentiodynamic polarization and electrochemical impedance spectroscopy techniques (EIS). Potentiodynmic polarization curves revealed that MMB acts as a mixed-type inhibitor in both acidic media. The impedance results indicated that the corrosion process occurs under activation control. Furthermore, MMB shows a higher inhibition efficiency in HCl (97%) than in H₂SO₄ (92%) at 10^?4 M MMB. The values of ΔG°_ads, ΔH_a, E_a and ΔS_a in temperature range 293–323 K indicated that MMB strongly retarded the corrosion of XC48 steel in both solutions by a chemisorptions process. The adsorption of Benzimidazole (MMB) on carbon steel surface followed Langmuir adsorption isotherm. Scanning electron microscopy (SEM) analysis confirmed that there is an adsorbed film on the surface of XC48 steel. The results of Monte Carlo simulations studies confirmed the inhibition action of MMB.     

Hydroclathrus clathratus marine alga as a green inhibitor of acid corrosion of mild steel

The corrosion inhibitive and adsorption behaviors of Hydroclathrus clathratus on mild steel in 1 M HCl and 1 M H₂SO₄ solutions at 303, 313 and 323 K were investigated by weight loss, electrochemical, and surface analysis techniques. The results show that H. clathratus acts as an inhibitor of corrosion of mild steel in acid media. The inhibition efficiency was found to increase with increase in inhibitor concentration but to decrease with rise in temperature, suggestive of physical adsorption. The adsorption of the inhibitor onto the mild steel surface was found to follow the Temkin adsorption isotherm. The inhibition mechanism was further corroborated by the results obtained from electrochemical methods. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) analyses supported the inhibitive action of the alga against acid corrosion of mild steel.     

Green approach to corrosion inhibition of mild steel in hydrochloric acid medium using extract of spirogyra algae

In the present investigation, a fresh water green algae spirogyra is used as an inexpensive and efficient mild steel corrosion inhibitor. The study is carried out in 0.5?M HCl solution using weight loss measurements, scanning electron microscopy–energy-dispersive X-ray spectroscopy, X-ray diffraction, and Fourier transforms infrared (FT-IR) techniques. The maximum inhibition efficiency was found to be 93.03% at 2?g?L^?1. The adsorption of extract of spirogyra on mild steel surface obeys the Langmuir adsorption isotherm. Corrosion inhibition mechanisms were inferred from the temperature dependence of the inhibition efficiency as well as from calculation of thermodynamic and kinetic parameters which direct the process. FT-IR analysis of green algae spirogyra revealed the presence of hydroxyl, amino, and carbonyl groups, which are responsible for the adsorption on the mild steel surface. SEM analysis supported the inhibitive action of the spirogyra extract against the mild steel corrosion in acid solution.     

Gravimetric,electrochemical, and morphological studies of an isoxazole derivative as corrosion inhibitor for mild steel in 1M HCl

In present study, an isoxazole derivative, namely, (Z)-4-(4-hydroxy-3-methoxybenzylidene)-3-methylisoxazol-5(4H)-one referred here as (IOD) has been studied as an environment-friendly corrosion inhibitor for mild steel (MS) in acidic medium (1 M HCl). The present work was investigated by gravimetric, electrochemical impedance spectroscopy (EIS), potentiodynamic polarization (PDP), fourier-transform infrared (FT-IR) spectroscopy techniques. Atomic force microscopy (AFM), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS) confirmed the surface morphologies of the MS surface with and without IOD in the acid medium. The inhibition efficiency (I.E.) of IOD was increased by rising its concentration attaining maximum value (96.6%) at 300 ppm at 30 °C and decreases with increasing temperature from 30 °C to 60 °C. The adsorption of studied inhibitor followed Langmuir adsorption isotherm model. The PDP study revealed that the IOD acts as a mixed-type inhibitor with predominating anodic effect. The EIS study confirmed that increasing IOD concentration enhances the charge transfer resistance (R_ct) and then reduces the double layer capacitance (C_dl) owing to the development of a protective layer on the MS surface.     

Corrosion inhibition of mild steel by highly stable polydentate schiff base derived from 1,3- propanediamine in aqueous acidic solution

Recently, the hydrolysis of Schiff bases under experimental conditions gives suspicion for their corrosion inhibition performance. The current study employs a stable Schiff base namely, 2,2′-{propane-1,3-diylbis[azanylylidene (E) methanylylidene]}bis(6-methoxyphenol) (LPD) as corrosion inhibitor for mild steel (MS) in 1 M HCl solution. The presence of the characteristic peak of the imine group in UV-visible spectra was taken as an indicator for LPD stability in acidic media. The inhibition action was examined using electrochemical techniques including potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) besides gravimetric measurement. The inhibition efficiency reached 95.93 % for 0.75 mM LPD after 24 h of immersion at 25 °C. This high efficiency is owing to the presence of the characteristic imine group and other heteroatoms and π- electrons of the aromatic benzene rings. The mechanism of inhibition depends on adsorption phenomena on mild steel surface which obeys Langmuir isotherm model. The calculated values of adsorption equilibrium constant (K_ads), adsorption free energy ΔG_ads, adsorption enthalpy ΔH_ads and adsorption entropy ΔS_ads indicated spontaneous exothermic adsorption process of both physical and chemical nature. By rising temperature, the inhibition efficiency of LPD was decreased. The calculated activation energy was increased as the concentration of LPD increased. LPD was considered as a mixed-type inhibitor as indicated from PDP measurements. The obtained surface morphology and composition analysis using SEM/EDS, AFM and FTIR techniques ensures the high efficiency of LPD as corrosion inhibitor.