Computational modeling of inhibitor release and transport from multifunctional organic coatings

A computational code that was originally designed to model crevice corrosion was extended to multifunctional coatings on Al alloys exposed to thin layers of electrolytes. The model is able to calculate the transient distributions of potential, current density, and all chemical species concentration, enabling the dynamic simulation of inhibitor release, inhibitor transport, and sacrificial cathodic protection. The model has been applied to both inhibitor release from and aggressive anion capture by hydrotalcites (HTs) pigments in epoxy primer coatings applied to AA2024-T3. Computational studies were carried out to investigate the effects of HT/vanadate (HT/V) epoxy coating system parameters including scratch size, inhibitor release rate, Cl⁻ gettering rate (GR), cathodic kinetics on the bare AA2024-T3, and solution layer thickness on system performance. The analyses of the computational results have quantified the important factors controlling successful corrosion inhibition by inhibitor release from coatings. The pH-dependence of the steady state inhibitor release rate was found to be the most important parameter controlling system performance. Cl⁻ gettering can also reduce the aggressiveness of solution at long times, especially when considered in conjunction with inhibitor release. However, the ion exchange capacity required poses stiff design challenges involving the loading of the ion exchanger into the resin and the service conditions. The effectiveness of inhibition decreased significantly for the larger scratch sizes. The cathodic kinetics within the scratch play an important role in determining the ability of a given inhibitor to function effectively. When the scratch is the cathode in the galvanic couple with the substrate under the coating, inhibition was more effective. For the conditions simulated here, the net effect of a decreased solution layer thickness is to increase the protection ability of the system. The increase in the inhibitor concentration overcomes the decrease in the pH at the anode.