Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies

Dagdag, Omar; Safi, Zaki; Erramli, Hamid; Cherkaoui, Omar; Wazzan, Nuha; Guo, Lei; Verma, Chandrabhan; Ebenso, Eno E.; Harfi, A. El

doi:10.1039/c9ra01672d

Cited by 56 publications

(25 citation statements)

References 84 publications

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“…All the chemicals employed in the study including bisphenol S (98%), epichlorohydrin (99%), triethylamine (≥99.5%), 4,4′‐methylene dianiline (97%) be purchased from Sigma–Aldrich and used devoid of any extra sanitization. Test material (carbon steel) having element composition reported prior was used the same as working electrode in the study . Preparation of the electrolyte (3 wt% NaCl solution) and metallic specimens adopted in the study can be found elsewhere …”

Section: Methodsmentioning

confidence: 99%

Highly durable macromolecular epoxy resin as anticorrosive coating material for carbon steel in 3% NaCl: Computational supported experimental studies

Dagdag

Berisha

Safi

et al. 2020

J of Applied Polymer Sci

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The purpose of present study is in the direction of development of an anticorrosive coating formulation of high durability for carbon steel corrosion in 3 wt% NaCl medium. The formulation comprises of a macromolecular epoxy coating (DGEDDS‐MDA) based bisphenol S diglycidyl ether (DGEDDS) cured with a methylene dianiline (MDA). The formulation was characterized by FT‐IR spectroscopy method. Performance of the epoxy coating was represented using PDP and EIS approaches. The formulation acts as effective anticorrosive coating for long durability (180 days). Surfaces of the specimens before and after 180 days exposure to UV radiation were examined using SEM. PDP, SEM, and EIS studies showed that DGEDDS‐MDA acted as highly durable and effective anticorrosive formulation. Results also showed that the formulation acts as interface type inhibitor and its presence enhances the polarization resistance (Rp) value. DFT study suggests that the formulation DGEDDS‐MDA possesses strong ability to interact with metal surface through its several electron rich centers. MD and MC simulations showed that studied formulation effectively adsorb on the substrate (metallic surface). Results of EIS, PDP, and SEM studies (experimental) were well‐supported by DFT, MD, and MC (computational) simulations.

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Section: Methodsmentioning

confidence: 99%

Highly durable macromolecular epoxy resin as anticorrosive coating material for carbon steel in 3% NaCl: Computational supported experimental studies

Dagdag

Berisha

Safi

et al. 2020

J of Applied Polymer Sci

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“…Test material (carbon steel) having element composition reported prior was used as working electrode in the study. [16] Preparation of the electrolyte (3 wt% NaCl solution) and metallic specimens adopted in the study can be found elsewhere. [17] 2.2 | Synthesis of HGTEDPA For the synthesis of HGTEDPA, 10.0 g of 4,4 0 -ethylenedianiline (5 × 10 −2 mol) were added to a two necked flask, equipped with a condenser, by drop wise addition of 2.5 g of phosphorustrichloride.…”

Section: Methodsmentioning

confidence: 99%

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

Dagdag

Harfi

Gana

et al. 2020

J of Applied Polymer Sci

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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.

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“…To determine the enthalpy of the adsorption process (ΔH ads ) and the corresponding entropy ΔS ads , ΔG°a ds values were plotted versus the absolute temperature according to the following thermodynamic relation [75,76]:…”

Section: ( )mentioning

confidence: 99%

Synthesis, characterization and application of acrylate-based poly ionic liquid for corrosion protection of C1020 steel In hydrochloric acid solution

Gobara

Saleh²,

Naeem

2019

Mater. Res. Express

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Poly ionic liquids (PIL) are eco-friendly in addition to being sustainable compounds that can be easily prepared and tailored according to the application. In this study, a novel PIL polymer based on acrylate was chemically synthesised via free radical polymerization method controlled by quenching the reversible reaction. The prepared 1-Butyl-3 Methylimidazolium Acrylate polymer (PAL) was characterised using FTIR as well as NMR to confirm the chemical structure. GPC was employed to determine the average molecular weight of the new polymer. PAL was applied as an effective corrosion inhibitor for C1020 steel in 1M HCl aqueous solution. Weight loss and electrochemical techniques, PDP and EIS, were applied to evaluate the corrosion inhibition performance. The electrochemical results showed that PAL acts as a mixed-type inhibitor reaches 91.8% at room temperature. The thermodynamic calculations showed that the adsorption process is exothermic. Furthermore, PAL molecules were adsorbed on the metal surface by both chemisorption and physisorption processes. SEM analysis was carried out to confirm the corrosion evaluation results. Also, quantum chemical calculations, at the B3LYP/DND level of theory, were carried out to correlate the electronic structure parameters of PAL inhibitor to its adsorption behaviour which in turn is relevant to the inhibition efficiency. Additionally, Monte Carlo simulation (MC) was conducted to investigate the adsorption modes and the interaction energies of the inhibitor on iron surface.

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Adsorption and anticorrosive behavior of aromatic epoxy monomers on carbon steel corrosion in acidic solution: computational studies and sustained experimental studies

Abstract: Herein, the synthesis, characterization and corrosion inhibition effectiveness of two aromatic epoxy monomers (AEMs) in carbon steel corrosive dissolution in 1 M HCl solution was investigated using computational and experimental techniques.

Cited by 56 publications

References 84 publications

Highly durable macromolecular epoxy resin as anticorrosive coating material for carbon steel in 3% NaCl: Computational supported experimental studies

Highly durable macromolecular epoxy resin as anticorrosive coating material for carbon steel in 3% NaCl: Computational supported experimental studies

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

Synthesis, characterization and application of acrylate-based poly ionic liquid for corrosion protection of C1020 steel In hydrochloric acid solution

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