Accelerating Electrocatalyst Innovation: High-Throughput Automated Microkinetic, Multiscale, and Techno-economic Modeling
09/29/2023 - 09/28/2025
Northeastern University will develop a computer model that could identify new avenues for producing essential chemical ingredients using carbon dioxide, a waste product of fossil fuels. Computer modeling would save time and money compared with running experiments that often focus on a single reaction pathway, whereas computer models seamlessly detect promising pathways from thousands of options. The project’s first steps will focus on producing propanol, a useful hydrocarbon found in cosmetics, cleaning, printing, motors, and other products.