Theoretical Insights in Green Corrosion Inhibitors

Abstract

Metal corrosion is prevalent and has caused serious harm to the economy, industrial production, science and technology and other related fields. Adding corrosion inhibitors is an effective method to prevent metal corrosion. In recent years, considerable research progress has been achieved in green corrosion inhibitors for copper, carbon steel and aluminum. However, most works are mainly focused on the effect and efficiency of corrosion inhibitors, the microscopic mechanism of corrosion inhibitors is still unclear. Therefore, theoretical insights in green corrosion inhibitors are especially important. In the present chapter, we will present the advance and perspective on the theoretical study in green corrosion inhibitors. The theoretical studies, including quantitative structure activity relationship (QSAR), quantum chemistry, and molecular dynamics simulation on the green corrosion inhibitors for copper, carbon steel and aluminum are reviewed and discussed. Further research directions are also presented.