Epoxy resin and TiO2 composite as anticorrosive material for carbon steel in 3% NaCl medium: Experimental and computational studies

O. Dagdag*, Lei Guo, Zaki Safi, Chandrabhan Verma*, Eno E. Ebenso, Nuha Wazzan, Sheerin Masroor, Rajesh Haldhar, S. Jodeh, M. El Gouri

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

34 Scopus citations

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 languageEnglish
Article number114249
JournalJournal of Molecular Liquids
Volume317
DOIs
StatePublished - 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

Fingerprint

Dive into the research topics of 'Epoxy resin and TiO2 composite as anticorrosive material for carbon steel in 3% NaCl medium: Experimental and computational studies'. Together they form a unique fingerprint.

Cite this