Experimental and computational studies of graphene oxide covalently functionalized by octylamine: electrochemical stability, hydrogen evolution, and corrosion inhibition of the AZ13 Mg alloy in 3.5% NaCl

Palaniappan, N.; Cole, Ivan; Kuznetsov, Aleksey E.

doi:10.1039/c9ra10702a

Cited by 47 publications

(29 citation statements)

References 48 publications

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“…The smaller values of electronegativity ( χ ) for H 2 MEH suggested the stronger ability of H 2 MEH than H 2 HEH to provide electrons to the metal. 90 The stability and reactivity of a compound could also be used to evaluate its hardness ( η ) and softness ( σ ). Soft compounds are highly reactive than hard compounds and they effortlessly provide electrons to an N80 sample during the adsorption.…”

Section: Resultsmentioning

confidence: 99%

Synthesis and characterization of novel dicarbohydrazide derivatives with electrochemical and theoretical approaches as potential corrosion inhibitors for N80 steel in a 3.5% NaCl solution

et al. 2022

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Section: Resultsmentioning

confidence: 99%

Synthesis and characterization of novel dicarbohydrazide derivatives with electrochemical and theoretical approaches as potential corrosion inhibitors for N80 steel in a 3.5% NaCl solution

et al. 2022

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“…As evidenced in Table 4 , NCC has a smaller Δ E value (5.78 eV) than CEL (5.83 eV), which supports a higher trend of NCC to be adsorbed on the SS316 alloy surface. Furthermore, the little values of electronegativity (χ) also offer a large potential reactivity of the inhibitor molecules to afford electrons to the metal surface, so NCC has a lower value of χ (2.56) than CEL (2.82), indicating the high adsorption for NCC [ 54 ]. Additionally, the stability and reactivity of the molecule can measure from hardness (η) and softness (σ), i.e., soft molecules have more protecting ability than hard molecules by virtue of the smooth delivery of electrons to the metal surface through adsorption; therefore, they are considered effective corrosion inhibitors [ 55 ].…”

Section: Resultsmentioning

confidence: 99%

Preparation, Characterization, and Evaluation of Macrocrystalline and Nanocrystalline Cellulose as Potential Corrosion Inhibitors for SS316 Alloy during Acid Pickling Process: Experimental and Computational Methods

et al. 2021

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Converting low-cost bio-plant residuals into high-value reusable nanomaterials such as microcrystalline cellulose is an important technological and environmental challenge. In this report, nanocrystalline cellulose (NCC) was prepared by acid hydrolysis of macrocrystalline cellulose (CEL). The newly synthesized nanomaterials were fully characterized using spectroscopic and microscopic techniques including FE-SEM, FT-IR, TEM, Raman spectroscopy, and BET surface area. Morphological portrayal showed the rod-shaped structure for NCC with an average diameter of 10–25 nm in thickness as well as length 100–200 nm. The BET surface area of pure CEL and NCC was found to be 10.41 and 27 m2/g, respectively. The comparative protection capacity of natural polymers CEL and NCC towards improving the SS316 alloy corrosion resistance has been assessed during the acid pickling process by electrochemical (OCP, PDP, and EIS), and weight loss (WL) measurements. The outcomes attained from the various empirical methods were matched and exhibited that the protective efficacy of these polymers augmented with the upsurge in dose in this order CEL (93.1%) < NCC (96.3%). The examined polymers display mixed-corrosion inhibition type features by hindering the active centers on the metal interface, and their adsorption followed the Langmuir isotherm model. Surface morphology analyses by SEM reinforced the adsorption of polymers on the metal substrate. The Density Functional Theory (DFT) parameters were intended and exhibited the anti-corrosive characteristics of CEL and NCC polymers. A Monte Carlo (MC) simulation study revealed that CEL and NCC polymers are resolutely adsorbed on the SS316 alloy surface and forming a powerful adsorbed protective layer.

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“…As demonstrated in Table 3, CH/Zn@H 3 BTC had a lower ∆E value (0.55 eV) than CH (5.80 eV), which indicates the greater tendency of CH/Zn@H 3 BTC to be adsorbed on steel's exterior. Most common inhibitors demonstrate relatively low electronegativity (χ) values, indicating their ability to offer electrons to a metal surface [61]. In contrast, high electronegativity (χ) values indicate the strong ability of the inhibitor molecule to attract and take electrons from metal surface atoms (i.e., back-donation) and form a stronger bond with metal atoms [62].…”

Section: Dft Studiesmentioning

confidence: 99%

Synthesis and Characterization of Zn–Organic Frameworks Containing Chitosan as a Low-Cost Inhibitor for Sulfuric-Acid-Induced Steel Corrosion: Practical and Computational Exploration

et al. 2022

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In this work, a Zn–benzenetricarboxylic acid (Zn@H3BTC) organic framework coated with a dispersed layer of chitosan (CH/Zn@H3BTC) was synthesized using a solvothermal approach. The synthesized CH/Zn@H3BTC was characterized by Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscope (FESEM), thermal gravimetric analysis (TGA), and Brunauer, Emmett, and Teller (BET) surface area. The microscopic observation and the analysis of the BET surface area of CH/Zn@H3BTC nanocomposites indicated that chitosan plays an important role in controlling the surface morphology and surface properties of the Zn@H3BTC. The obtained findings showed that the surface area and particle size diameter were in the range of 80 m2 g−1 and 800 nm, respectively. The corrosion protection characteristics of the CH/Zn@H3BTC composite in comparison to pristine chitosan on duplex steel in 2.0 M H2SO4 medium determined by electrochemical (E vs. time, PDP, and EIS) approaches exhibited that the entire charge transfer resistance of the chitosan- and CH/Zn@H3BTC-composite-protected films on the duplex steel substrate was comparatively large, at 252.4 and 364.8 Ω cm2 with protection capacities of 94.1% and 97.8%, respectively, in comparison to the unprotected metal surface (Rp = 20.6 Ω cm2), indicating the films efficiently protected the metal from corrosion. After dipping the uninhabited and protected systems, the surface topographies of the duplex steel were inspected by FESEM. We found the adsorption of the CH/Zn@H3BTC composite on the metal interface obeys the model of the Langmuir isotherm. The CH/Zn@H3BTC composite revealed outstanding adsorption on the metal interface as established by MD simulations and DFT calculations. Consequently, we found that the designed CH/Zn@H3BTC composite shows potential as an applicant inhibitor for steel protection.

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Experimental and computational studies of graphene oxide covalently functionalized by octylamine: electrochemical stability, hydrogen evolution, and corrosion inhibition of the AZ13 Mg alloy in 3.5% NaCl

Abstract: Octylamine-functionalized graphene oxide chemisorbed onto a Mg alloy surface by non-bonding electron.

Cited by 47 publications

References 48 publications

Synthesis and characterization of novel dicarbohydrazide derivatives with electrochemical and theoretical approaches as potential corrosion inhibitors for N80 steel in a 3.5% NaCl solution

Synthesis and characterization of novel dicarbohydrazide derivatives with electrochemical and theoretical approaches as potential corrosion inhibitors for N80 steel in a 3.5% NaCl solution

Preparation, Characterization, and Evaluation of Macrocrystalline and Nanocrystalline Cellulose as Potential Corrosion Inhibitors for SS316 Alloy during Acid Pickling Process: Experimental and Computational Methods

Synthesis and Characterization of Zn–Organic Frameworks Containing Chitosan as a Low-Cost Inhibitor for Sulfuric-Acid-Induced Steel Corrosion: Practical and Computational Exploration

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