This study reports the evaluation of the anticorrosive performance of two macromolecular aromatic epoxy resins
(ERs), namely, tetra glycidyl of ethylene dianiline (TGEDA) and hexaglycidyl Tris (p-ethylene dianiline) phosphoric
triamide (HGEDPAT) and their polymer composite reinforced with Zinc for copper corrosion in 3% NaCl using
the computational and experimental analyses. Electrochemical results showed that HGEDAPT cured with methylene
dianiline (MDA) showed better protection efficiency with optimum corrosion current density (icorr) value
of 2.0 μ cm−2 and the polarization resistance (Rp) value of 17.00 kΩ·cm2 than that of TGEDA-MDA having icorr
value of 2.4 μ cm−2 and the Rp value of 15.24 kΩ·cm2. The anti-corrosive effect of TGEDA-MDA and HGEDAPTMDA
was evaluated in the presence of 5% zinc (Zn). Experimental results demonstrate that the presence of 5%
of zinc in TGEDA-MDA and HGEDAPT-MDA formulations significantly enhanced their protection ability. The anticorrosive
effect of the different formulations followed the order: ER1 (TGEDA-MDA) (potentiodynamic polarization
(PDP); 90% and electrochemical impedance spectroscopy (EIS) 92%) b ER2 (HGEDAPT-MDA) (PDP; 92%
and EIS 93%) b ER3 (TGEDA-MDA-5%Zn) (PDP; 96% and EIS 97%) b ER4 (HGEDAPT-MDA-5%Zn) (PDP; 97% and
EIS 98.5%). Density functional theory (DFT) study revealed that ER1 and ER2 interact with the metallic surface
using donor-acceptor interactions inwhich electron rich centers acted asmost favorable sites for the interactions.
Molecular dynamics (MD) simulations studies suggest that ER1 and ER2 acquire the flat or horizontal orientations
and their orientations on metallic surface are largely influenced by the presence of zinc. Different experimental
and computational studies are in good agreement

Title

J Molecular Liquids

Publisher

elsevier

Publisher Country

United States of America

Indexing

Thomson Reuters

Impact Factor

5.06

Publication Type

Prtinted only

Volume

315

Year

2020

Pages

346-349