Application of Quantum Chemistry Method in the Performance Evaluation and Mechanism Study of Corrosion Inhibitors

In recent years, quantum chemistry is widely used in the studies of molecular structure and inhibition mechanism of inhibitors. Three basic quantum chemical calculation methods are introduced in this paper, including density functional theory, ab initio and semi-empirical methods. The application status of quantum chemistry methods in the study of organic corrosion inhibitor is summarized, and its development prospects in this field are discussed.