Anticorrosion performance assessment of silane-modified chitosan/epoxy primer coatings on mild steel in saline environment using computational simulation techniques

Abstract

The anticorrosion performance of silane-modi ed chitosan/epoxy primer coatings was evaluated using quantum chemical computations and molecular dynamics simulation. The coating formulation was based on diglycidyl ether of bisphenol A (DGEBA) epoxy cured with 1,3benzenediamine (BDA). Chitosan biopolymer nanoclusters were used as ller, and two different silane additives: tetraethoxysilane and (3aminopropyl) trimethoxy silane were used as hydrophobic modi ers. Mild steel surface was theoretically constructed, and 3.5 wt. % NaCl solution was simulated to represent seawater (marine water) as corrodent. The objective was to gain insight into the molecular/atomistic level of the coating/metal interface to be able to design high performance anticorrosion epoxy nanocomposite primer coating for marine application. The quantum chemical parameters as well as interactions between the silane-modi ed chitosan/epoxy coatings and mild steel surface were appraised. Computational results showed that the obtained quantum chemical parameters for the silane-modi ed chitosan are related to high corrosion protective capability. The adsorption energies (E ads ) of the silane-modi ed chitosan/epoxy coating were observed to be higher than the unsilanized chitosan/epoxy and plain epoxy coatings. This implies that the silane-modi ed chitosan/epoxy coating is potentially more corrosion-resistant than the unsilanized chitosan/epoxy and plain epoxy coatings.

Flame Retardant and Anticorrosion Behavior of Multifunctional Epoxy Nanocomposite Coatings Containing Graphitic Carbon Nitride/Silanized HfO2 Nanofillers for the Protection of Steel Surface in Automobile Industry

“…The researchers are dedicated to pursuing a variety of practical and cost-effective solutions, such as the inclusion of corrosion inhibitors, the application of polymeric coatings that resist corrosion, or electrochemical protection, to increase the lifespan. One of the most straightforward and effective methods in a marine environment is the corrosion prevention of steel by polymeric coatings. − For the purpose of preventing corrosion of steel in the marine environment, coatings must have high anticorrosion capabilities and consistent mechanical properties. In comparison to other polymeric coatings like vinyl ester, polyurethane, and phenolic resins, epoxy coating is regarded as the best organic polymer coating for corrosion mitigation due to its excellent stability under acid/base conditions, good adhesion, and superior mechanical performance. − Despite having excellent adhesion to the steel surface, epoxy coatings have a number of disadvantages, such as the ease with which microcracks, pinholes, and cavities form when exposed to corrosive electrolyte, as well as significant restrictions on the production of coatings with high flammability resistance. − Aggressive species including O 2 , H 2 O, and Cl – can easily enter through these microcracks, where they could interact with the metal contact and lead to corrosion.…”