Overcoming Complexity and Emergent Behavior Via Multiscale Modeling

In this talk, an overview of recent developments in multiscale modeling of chemical reactors will be given. Then major challenges arising from reactor and catalyst complexity and emergent behavior will be presented with main focus on the discovery of novel catalytic materials and reaction media. Examples from distributed energy production, such as utilization of offshore and remote natural gas, bioethanol, and biomass, will be outlined.