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.

Title

J Molecular Liquids

Publisher

elsevier

Publisher Country

Netherlands

Indexing

Thomson Reuters

Impact Factor

5.07

Publication Type

Prtinted only

Volume

317

Year

2020

Pages

346-349