Abstract
The anticorrosive effect of an epoxy resin (DGEDDS-MDA) based on diglycidyl ether 4, 4′-dihydroxydiphenylsulfone (DGEDDS) and 4,4′-Methylene dianiline (MDA) with and without titanium dioxide (TiO2) for carbon steel (CS) corrosion in 3% NaCl solution is reported. The composite of DGEDDS-MDA with TiO2 is designated as DGEDDS-MDA-TiO2. Electrochemical and computational techniques were used to demonstrate the anticorrosive effectiveness of the DGEDDS-MDA and its TiO2 composite. The effect of UV irradiation (for 2000 h) on effectiveness of DGEDDS-MDA and its TiO2 composite showed that the presence of the TiO2 appreciably enhanced the corrosion inhibition effect of DGEDDS-MDA. In order to reinforce the experimental findings, reactivity of DGEDDS-MDA with metallic surface was also studied using computational techniques. DFT study revealed that DGEDDS-MDA interacts strongly with metal surface using donor-acceptor mechanism. Polar functional groups (–OH & –N–) and aromatic rings act as adsorption centers. MD simulations study showed that DGEDDS-MDA adsorbs using flat orientation and its orientation is greatly affected by TiO2.
Original language | English |
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Article number | 114249 |
Journal | Journal of Molecular Liquids |
Volume | 317 |
DOIs | |
State | Published - 1 Nov 2020 |
Bibliographical note
Publisher Copyright:© 2020
Keywords
- Anticorrosive coating
- Composite
- Computational simulations
- Epoxy resin
- UV irradiation
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Spectroscopy
- Physical and Theoretical Chemistry
- Materials Chemistry