Effect of stereochemical conformation into the corrosion inhibitive behaviour of double azomethine based Schiff bases on mild steel surface in 1 mol L−1 HCl medium: An experimental, density functional theory and molecular dynamics simulation study

Murmu, Manilal; Saha, Sourav Kr.; Murmu, Naresh Chandra; Banerjee, Priyabrata

doi:10.1016/j.corsci.2018.10.002

Cited by 309 publications

(79 citation statements)

References 69 publications

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“…The weight loss measurement is a very reliable more accurate technique to study the corrosive behavior of the Fe and Ni-based alloys and also very useful to corroborate the obtained data from the electrochemical analysis [14,15]. Almost all theories for the initiation and development of pitting concentrate on the way a pit can initiate on what is close to a perfect surface, with material imperfections, inclusions and local alloy constituents producing only very small differences in local potential to drive dissolution leading to pit initiation [16].…”

Section: Introductionmentioning

confidence: 87%

Experimental correlation using ANOVA and DOE studies on corrosion behavior of Fe and Ni-based alloy under different media

Mohamed

Tash

2020

Mater. Res. Express

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The present study was undertaken to evaluate the effect of temperature, immersion time, and different corrosive media such as HCl, H 2 SO 4 and KOH at different time intervals at 30°C, 40°C and 60°C on the corrosion behavior of Fe and Ni-based alloy. The use of the design of experiment (DOE) and the analysis of variance (ANOVA) can be a useful methodology to reach this research. The analysis of the effects of each variable and their interaction on the corrosion of Fe and Ni-based alloys important role in selective best materials choice. The corrosion rate differs with different time intervals and different acid-base environments and increased with an increase in temperature from 30 to 60°C. The study further reveals that the corrosion rate in different environment follows the order: HCl>H 2 SO 4 >KOH.

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Section: Introductionmentioning

confidence: 87%

Experimental correlation using ANOVA and DOE studies on corrosion behavior of Fe and Ni-based alloy under different media

Mohamed

Tash

2020

Mater. Res. Express

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“…DFT calculations were accomplished with the Gaussian 09 program . Geometry optimization in the gas phase for the DGEBA‐polyaminoamide was completely optimized at B3LYP/6‐31 g (d, p) level of the theory . Our frequency calculation showed there was not any imaginary frequency with N Imag = 0, which confirms that the optimized structure presupposed for the compound corresponds to the minimum energy.…”

Section: Methodsmentioning

confidence: 55%

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

Dagdag

Berisha

Safi

et al. 2019

J of Applied Polymer Sci

111

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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.

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“…The 2D freestanding PdAu PNSs exhibit obviously enhanced ORR activity, with the onset potential of 1.040 V and a half‐wave potential of 0.932 V, compare to the other three catalysts, outdistancing most previously reported Pd‐based catalysts as listed in Table . From the corresponding Tafel plots (Figure c), the 2D freestanding PdAu PNSs delivers higher specific activity at the same applied potential compare to the 1D ultrathin PdAu NWs, the 3D penetrative Pd 1 Au 1.5 NFs, and JM‐Pd black, respectively, indicating the superior ORR activity of the 2D freestanding PdAu PNSs in a wide range of potentials . For better understanding of the component‐dependent property, the ORR performance of pure Au and pure Pd samples were tested to make a comparison (TEM images are corresponding to Figure S5).…”

Section: Figurementioning

confidence: 68%

Atom‐Ratio‐Conducted Tailoring of PdAu Bimetallic Nanocrystals with Distinctive Shapes and Dimensions for Boosting the ORR Performance

Wang

Zhang

et al. 2020

Chemistry A European J

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Systematically manipulating the shape, dimension, and surface structure of PdAu nanocrystals is an active subject because it offers a powerful means to regulate and investigate their structure–activity relationship. Meanwhile, it is still urgent to reduce the use of two‐dimensional precious‐metal‐based nanomaterials. This work demonstrates that PdAu nanocrystals with a variety of shapes/dimensions, including 1D anisotropic nanowires, 2D porous nanosheets, and 3D penetrative nanoflowers, can be systematically synthesized by simply adjusting the atomic ratio or the reaction time in the same protocol. The resultant PdAu nanocrystals with distinctive shapes, but the same building blocks triumphantly avoid the effects of facet and surface properties; this represents an ideal platform for directly comparing the oxygen reduction reaction (ORR) activity. 2D porous PdAu nanosheets demonstrate superior ORR performance (Eonset = 1.040 V, E1/2 = 0.932 V) compared with other‐dimension‐based samples and commercial Pd black; this is attributed to the abundant surface atoms and omni‐directional mass‐transfer channels. This work not only paves the way for systematically measuring a series of distinctive PdAu nanocrystals as non‐Pt electrocatalysts, but also sheds light on the study of structures/dimensions in tuning the catalytic properties of bimetallic nanocrystals.

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Effect of stereochemical conformation into the corrosion inhibitive behaviour of double azomethine based Schiff bases on mild steel surface in 1 mol L−1 HCl medium: An experimental, density functional theory and molecular dynamics simulation study

Cited by 309 publications

References 69 publications

Experimental correlation using ANOVA and DOE studies on corrosion behavior of Fe and Ni-based alloy under different media

Experimental correlation using ANOVA and DOE studies on corrosion behavior of Fe and Ni-based alloy under different media

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

Atom‐Ratio‐Conducted Tailoring of PdAu Bimetallic Nanocrystals with Distinctive Shapes and Dimensions for Boosting the ORR Performance

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