Molecular dynamics, thermodynamics and experimental studies on the corrosion mechanism of T92 and TP347H steels in high-pressure CO2 and H2O at 600 °C

In the initial atom-scale corrosion stage, the formation of chemical bonds and the distribution of atoms were obtained by the molecular dynamics. The thermodynamic and experimental results indicated the distribution of oxides and carbides formed on T92 and TP347H steels.