Schleife’s ACS PRF Award to Help with High-temperature Corrosion Resistance

 

Assistant Professor of Materials Science and Engineering Andre Schleife has been awarded a grant from the American Chemical Society Petroleum Research Fund(ACS PRF) for research on high-temperature corrosion resistance. This Doctoral New Investigator (DNI) grantsupports a two-year project that is based on cutting-edge first principles simulations.

“High-temperature corrosion is a big problem in many applications, such as aircraft turbines, but also in the petroleum industry, for instance in refineries,” said Schleife. “At the same time, some metals are very corrosion-resistant, because they form a thin oxide layer, or scale, that protects them very efficiently from further corroding. Aluminum is the perfect example, since it forms an alumina layer.”

Different types of corrosion negatively impact equipment in the petroleum field. High-temperature corrosion is dramatic in refineries and petrochemical plants, where it leads to deterioration of steels by furnace gases.

By using many-body perturbation theory and hybrid Density Functional Theory (DFT), this project will investigate the hypothesis that binding within defect clusters, that form to compensate charge, dominates their effect on diffusion and that neglecting this effect causes poor understanding of experimental results from diffusion measurements.

The Schleife group will use these accurate computational techniques to calculate formation, migration, and defect binding energies. “This is an ideal time to push the knowledge on high-temperature corrosion resistance and to provide proof-of-principle that this is achievable using cutting-edge first-principles calculations,” Schleife said. “This project will become a foundation for future computational design of novel corrosion-resistant alloys.”

Assistant Professor of Materials Science & Engineering Andre Schleife