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Synergistic anticorrosive properties of titanium tetra-acetoximate modified epoxy hybrid coatings: experimental and computational approaches

Ola, SK and Chopra, I and Gopalakrishnan, S and Dhayal, V (2023) Synergistic anticorrosive properties of titanium tetra-acetoximate modified epoxy hybrid coatings: experimental and computational approaches. In: Multiscale and Multidisciplinary Modeling, Experiments and Design .

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Official URL: https://doi.org/10.1007/s41939-023-00215-3


Metal oxide (–M–O–) linkages modify the entire characteristics of epoxy coatings significantly for different steel surface applications. To support this concept, a highly effective corrosion-resistant coating was developed by combining an epoxy resin, known as diglycidyl ether of bisphenol A (DGEBA), with a hardener in the presence of titanium tetra-acetoximate (TTA) [Ti(ON=C(CH3)2)4] (epoxy-TTA coating). The microstructure and surface morphology of the coatings were characterized by Fourier-transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM) coupled with energy dispersive spectroscopy (EDS) which supports reduction in porosity of epoxy adhesive because of O–Ti–O and Ti–O–C linkages in epoxy framework. The adhesive strength of the coatings also increases in dry and wet conditions as examined through pull-off test. The anticorrosive nature of coatings was indicated by weight loss, electrochemical and salt spray tests, conducted in 3.5% NaCl aqueous solution. To reinforce the experimental results, reactivity of crosslinked epoxy and epoxy-TTA coatings with metallic surface was also investigated using density functional theory (DFT) and molecular dynamics (MD) methods. In electrochemical findings, increase in polarization resistance (bare steel: 2.55 KΩ cm2; epoxy-TTA coated steel: 52.42 × 103 KΩ cm2) and a drop in corrosion rate, from 4.58 mpy (bare steel) to 1.05 × 10−4 mpy (epoxy-TTA) strongly indicate epoxy-TTA hybrid composite coatings’ capacity to effectively protect against corrosion. DFT study demonstrated that epoxy and epoxy-TTA resins interacts firmly with metal surface utilizing donor–acceptor mechanism. Modification of epoxy with TTA enhances its interaction with steel surface in dry as well as in wet conditions as indicated by the adhesion energy calculated by MD simulations. These modeling outcomes, in line with the experimental findings proposed the superior epoxy adhesion in case of its modification with TTA.

Item Type: Journal Article
Publication: Multiscale and Multidisciplinary Modeling, Experiments and Design
Publisher: Springer Science and Business Media B.V.
Additional Information: The copyright for this article belongs to the Springer Science and Business Media B.V.
Keywords: Adhesion; Adhesives; Atmospheric corrosion; Composite coatings; Computation theory; Corrosion inhibitors; Corrosion rate; Corrosion resistance; Corrosion resistant coatings; Design for testability; Epoxy resins; Fourier transform infrared spectroscopy; Molecular dynamics; Morphology; Phenols; Scanning electron microscopy; Seawater corrosion; Sodium chloride; Steel corrosion; Surface morphology; Titanium, Anti-corrosive coatings; Density-functional-theory; Diglycidyl ether of bisphenol-A; Electrochemical test; Electrochemicals; Epoxy; Fe(110) plane; Steel surface; Titania; Titania tetra-acetoximate, Density functional theory
Department/Centre: Division of Mechanical Sciences > Aerospace Engineering(Formerly Aeronautical Engineering)
Date Deposited: 07 Nov 2023 05:50
Last Modified: 07 Nov 2023 05:50
URI: https://eprints.iisc.ac.in/id/eprint/83095

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