Polymeric-Based Epoxy Cured with a Polyaminoamide as an Anticorrosive Coating for Aluminum 2024-T3 Surface: Experimental Studies Supported by Computational Modeling

Abstract

The present research focused on a coating formulation for aluminum surface 2024-T3 to protect it from corrosion. The formulation consisted of a polymeric epoxy resin-coated bisphenol A diglycidyl ether (DGEBA) cured with a polymeric polyaminoamide. The coated aluminum 2024-T3 was tested in a harsh environment of electrolyte solution (3 wt% NaCl solution) to simulate the harsh marine environment. The coated sample was evaluated by Electrochemical Impedance Spectroscopy (EIS). Under these conditions, a very high impedance (Z) value was obtained; even after exposure for a period longer than 4392 h, the performance was still acceptable. Surface morphological study of metallic specimens before and after exposures to the simulated marine environment (3 wt% NaCl) was carried out using scanning electron microscopy (SEM). The results indicate that the DGEBA-polyaminoamide (DGEBAAA) performed as an excellent barrier for Al surface. The results were combined by several modeling approaches involving molecular dynamics simulation (MD), Monte Carlo methods (MC), and the electronic density functional theory (DFT) computations to explore the adhesion forces between the DGEBAAA and the aluminum surface. The computational MD, MC, and DFT studies were executed in aqueous media. Computational results further evidenced the stronger DGEBA-aminoamide adhesion onto the aluminum 2024-T3 even in a wet environment.

Epoxy pre-polymers as new and effective materials for corrosion inhibition of carbon steel in acidic medium: Computational and experimental studies

“…With DFT-based studies, it became promising to gain detail about the organic film electronic features prevailing its adhesion manner with regards to substrate 11–15 . Apart from DFT study, computational study being carried out using MD simulations give some useful parameters through which metal-inhibitor(s) interactions and orientation of the inhibitors at meta-electrolyte interface can be derived 16,17 .…”

DGEBA‐polyaminoamide as effective anti‐corrosive material for 15CDV6 steel in NaCl medium: Computational and experimental studies

“…The MD and MC simulations were performed using Forcite module of Materials Studio 6.0 program. [24][25][26][27] RESULTS AND DISCUSSION…”

Effect of Santolina pectinata (Lag.) Essential Oil to protect against the corrosion of Mild steel in 1.0 M HCl: Experimental and quantum chemical studies

“…Then, the local electrophilic, P + , and nucleophilic, P -, Parr functions 35 are obtained from the analysis of the Mulliken atomic spin density (ASD) at the radical anion and at the radical cation by adding and removing an electron to the studied inhibitor, respectively. Concerning MC and RDF simulations 36,37 , the iron surface (111) is built-in Biovia Materials studio 8.0 38 39 by means the adsorption locator module integrating in Biovia Materials studio version 8.0. The adsorption behavior was evaluated through RDF analysis using Forcite calculation code 40 .…”