T0301-2-6 Investigation on Corrosion Process Mechanism of Turbine Blade by Computational Science

Abstract

We applied various computational science methodologies such as first-principles calculation and molecular dynamics methods to the clarification of the corrosion process mechanism of turbine blade. We successfully elucidated the corrosion mechanism of Fe surface by CO_2 molecule. Dissociative adsorption of CO_2 molecule was found to be key factor of the Fe surface corrosion by CO_2. The effect of stress on the corrosion mechanism by CO_2 molecule was also clarified. Moreover, we propose that the sulfurization of Fe surface may reduce its corrosion.