DGEBA-polyaminoamide as effective anti-corrosive material for 15CDV6 steel in NaCl medium: Computational and experimental studies

The present study is focusing on evaluating theoretically and experimentally stability and type of interactions between the epoxy resin bisphenol A diglycidyl ether (DGEBA)-polyaminoamide anticorrosive coating and high strength low alloy steel surface 15CDV6. The coated steel samples were subjected to a harsh environment of an electrolyte solution of 3 wt % NaCl to simulate the corrosive marine environment. The performance of the epoxy coating was investigated using electrochemical impedance spectroscopy (EIS). The EIS results revealed the occurrence of some deterioration in the film after subjecting it to a harsh environment for 4392 h, because the impedance of the coating dropped by about 1.4 kΩ.cm². Surface morphological study of metallic specimens before and after exposing to the simulated marine environment (3 wt % NaCl) was carried out using scanning electron microscopy, energy dispersive spectroscopy (EDS), and optical microscope (OM) methods. The interactions between DGEBA-polyaminoamide and the metallic surface were further carried out using computation modeling such as density functional theory (DFT)-based quantum chemical calculations, Monte Carlo (MC), and molecular dynamics (MD) simulations. Results showed that DGEBA-polyaminoamide possesses a strong tendency to adhere and inhibits the corrosive dissolution of 15CDV6 steel surface in the stimulated marine environment. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020 , 137, 48402.     

Designing of phosphorous based highly functional dendrimeric macromolecular resin as an effective coating material for carbon steel in NaCl: Computational and experimental studies

Objective of this study is to develop a highly effective and durable phosphorus based epoxy resin as anticorrosive coating material for carbon steel in 3% NaCl medium. The hexaglycidyl N,N′,N″-tris (4,4′-ethylene dianiline) phosphoramide (HGTEDPA) was characterized using spectral methods. The anticorrosive formulation (HGTEDPA-MDA) was synthesized using HGTEDPA curing with 4,4′-methylenedianiline (MDA). The formulation (HGTEDPA-MDA) coated steel specimens were exposed to UV radiation for a specific durable (189 days) and durability of the formulation was tested along with its inhibition effectiveness. The anticorrosive property of the formulation was evaluated using electrochemical (electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP)) methods. Results showed that HGTEDPA-MDA coating improved the corrosion resistance value even after exposing 180 days to the UV radiation. PDP study suggested that HGTEDPA-MDA before and after UV radiations acted as mainly anodic and cathodic type of inhibitor, respectively. The EIS and PDP results were corroborated with density functional theory (DFT) and molecular dynamic simulations (MDS) methods and a reasonable good agreement was observed. DFT study revealed that HGTEDPA-MDA interacts with the metallic surface using donor–acceptor interactions. MDS study revealed that HGTEDPA-MDA spontaneously interacts with steel surface and adsorb using horizontal orientation.     

Adsorption, synergistic inhibitive effect and quantum chemical studies of ampicillin (AMP) and halides for the corrosion of mild steel in H2SO4

The corrosion inhibition of ampicillin (AMP) and its synergistic combination with halides (KI, KCl and KBr) for the corrosion of mild steel in H₂SO₄ have been investigated using gravimetric, gasometric, thermometric and infrared (IR) methods. The inhibition efficiencies of AMP for the corrosion of mild steel increased with increase in concentration but decreased with rise in temperature. The adsorption of AMP on the mild steel surface was found to obey the Langmuir adsorption isotherm model. The combination of AMP with the halides (KI, KBr and KCl) enhanced the inhibition efficiency and adsorption behavior of the inhibitor indicating synergism. The inhibition efficiency of AMP increased with increasing concentration and the adsorption of the inhibitor was spontaneous. Physical adsorption mechanism has been proposed from the thermodynamic data obtained. There was a significant correlation between the inhibition efficiency of AMP and some quantum chemical parameters (R ² = 0.96) using the quantitative structure–activity relationship (QSAR) method. Some quantum chemical parameters and the Mulliken charge densities on the optimized structure of AMP were calculated using the B3LYP/6-31G (d,p) basis set method to provide further insight into the mechanism of the corrosion inhibition process.     

Synergistic effect of halide ions and polyethylene glycol on the corrosion inhibition of aluminium in alkaline medium

The corrosion inhibition of aluminium in alkaline medium was studied at 30 and 40°C in the presence of polyethylene glycol (PEG) using gravimetric (weight loss) and thermometric techniques. The effect of halides (KCl, KBr, and KI) on the inhibitory action of PEG was also studied. It was found that PEG acted as inhibitor for aluminium corrosion in the alkaline medium. Inhibition efficiency increased with increasing inhibitor concentration. An increase in temperature led to increase in both the corrosion rate and inhibition efficiency in the absence and presence of inhibitor and halides. Phenomenon of chemical adsorption mechanism is proposed from the values of E_a, Q_ads, and ΔG obtained. The adsorption of PEG on the surface of aluminium was found to obey Flory–Huggins and Temkin adsorption isotherms. The synergism parameter, S₁ evaluated was found to be greater than unity indicating that the enhanced inhibition efficiency caused by the addition of halides is synergistic in nature. The inhibition efficiency, surface coverage and synergism parameter increased in the order; I^?> Br^?> Cl^? showing that a joint adsorption of PEG and halide ions on aluminium plays a significant role in the adsorption process. © 2009 Wiley Periodicals, Inc. J Appl Polym Sci, 2009     

Aqueous extract of broccoli mediated synthesis of CaO nanoparticles and its application in the photocatalytic degradation of bromocrescol green

CaO nanoparticles have been prepared using CaCl₂ and aqueous extract of broccoli as a precursor and reducing agent, respectively. Different volumes of the aqueous broccoli extract were utilised to obtain Ca(OH)₂ and subsequent calcination gave CaO nanoparticles. The synthesised CaO was confirmed by powder X‐ray diffraction (XRD). The morphology was studied using transmittance electron microscopy (TEM), and the surface composition of Ca(OH)₂ was explored using Fourier transform infrared spectroscopy. The major functional groups present in the capping material responsible for the reduction of the metal salt and the surface passivation of Ca(OH)₂ were identified. The XRD pattern revealed cubic phase for all the CaO nanoparticles, and the crystallite size was estimated using Scherrer''s equation showed a variation which is dependent on the volume of the extract used. TEM analysis showed different shapes, while the selected area electron diffraction (SAED) results confirmed the crystallinity of the nanoparticles. Thermogravimetric analysis of Ca(OH)₂ showed the decomposition product to be CaO. Sample C3, which has the smallest particle size, was used as a catalyst for the degradation of bromocresol green via photo irradiation with ultraviolet light and the result revealed a degradation efficiency of 60.1%.Inspec keywords: passivation, nanoparticles, particle size, thermal analysis, pyrolysis, photochemistry, transmission electron microscopy, catalysts, calcination, catalysis, crystallites, nanofabrication, ultraviolet spectra, X‐ray diffraction, scanning electron microscopy, calcium compounds, electron diffraction, reduction (chemical), Fourier transform infrared spectraOther keywords: aqueous broccoli extract, calcium oxide nanoparticles, photocatalytic degradation, bromocrescol green, calcium chloride, powder X‐ray diffraction, transmittance electron microscopy, surface composition, Fourier transform infrared spectroscopy, capping material, metal salt, surface passivation, crystallite size, Scherrer''s equation, selected area electron diffraction, crystallinity, thermogravimetric analysis, decomposition product, particle size, photo irradiation, ultraviolet light, degradation efficiency, calcination, CaO     

Synergistic effect of halide ions on the corrosion inhibition of aluminum in acidic medium by some polymers

The corrosion inhibition of aluminum in H₂SO₄ in the presence of polyvinyl alcohol (PVA) and polyethylene glycol (PEG) and the effect of addition of halides (KCl, KBr, KI) was studied using the hydrogen evolution technique at 30 and 40°C. Inhibition efficiency (%I) increases with concentration of PVA and PEG—‐but with PEG having higher %I. The %I decrease with increase in temperature from 30 to 40°C in the absence and presence of inhibitor and halides. PVA and PEG were found to obey Freundlish adsorption isotherm. Phenomenon of physical adsorption is proposed from the obtained E_a, ΔG_ads, and Q_ads values obtained. The synergism parameters (S_I) obtained were found to be greater than unity for both PVA and PEG, which indicates that the enhanced inhibition efficiency caused by the addition of halides is only due to synergism. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 100: 2889–2894, 2006