| dc.description.abstract | Cured epoxy polymers namely 3.30-(phenylazanediyl) bis(1-((6-aminohexyl)amino)propan-2-ol) (EP/
AlA) and 3.30-(phenylazanediyl) bis(1-((4-(4-aminobenzyl)phenyl)amino)propan-2-ol) (EP/ArA) were
used as potential protection coatings for carbon steel (CS) in 3.5% NaCl solution. The protection coatings
of EP/AlA and EP/ArA on CS were investigated through, electrochemical impedance spectroscopy (EIS),
potentiodynamic polarization curves (PC), atomic force microscope (AFM), scaning electron microscopy
(SEM), contact angle (CA), natural bond orbitals (NBO), frontier molecular orbitals (FMO), fractional free
volume (FFV), radial distribution function (RDF) and molecular dynamics (MD) simulations. PC and EIS
data indicated that the two cured epoxy polymers investigated have excellent protective efficiencies.
Further, protective efficiencies of EP/ArA (92 and 94.6% for EIS and PC, respectively) are higher than that
of EP/AlA (86.3 and 88.7% for EIS and PC, respectively) in 3.5 %NaCl solution. SEM and AFM results displayed
the protective layer formed on CS coated through EP/AlA and EP/ArA could be stopped the chloride
ions attack. Also, the quantum chemical analyzes of cured epoxy polymers EP/A1A and EP/ArA were
employed at DFT/B3LYP/6-31G(d,p) level to appraise the reactivity behaviors and possible regions via
using the FMO and NBO methods. The results disclosed that the dominant interactions for both molecules
were determined as the resonance (n?P* and P?P*) interactions. FFV value of EP/ArA film (20.22%) is
lower than compared to EP/AlA (28.02%), due to the most condensed film by the EP/ArA on CS surface.
Experimental results combined with theoretical approaches were used to investigate the protection
coatings. | tr |
