Hybrid Multiscale Modeling of Corrosion Nanoinhibitors Transport

Until recently, chromium based coatings were in widespread use due to their high mechanical properties as well as corrosion resistance. However, more and more stringent environmental and health regulations demand the substitution of these composites due to their high toxicity. In this direction, progress in coating technology has made possible to develop free-chromate corrosion inhibitors which are capable to smartly migrate when required. In order to support the coating design, we propose a hybrid mathematical model to study the inhibitors release by taking into account the thermodynamics and kinetics involved in the corrosion process. The proposed model is intended to study the transport of such inhibitors, while providing a computational tool for the calculation of useful parameters by avoiding trial and error experimental set ups. Relevant parameters such as the time scale and the amount of inhibitor that is being release could be investigated.