Multiscale optimization of formic acid dehydrogenation process via linear model decision tree surrogates

Ethan M. Sunshine, Giovanna Bucci, Tanusree Chatterjee, Shyam Deo, Victoria M. Ehlinger, Wenqin Li, Thomas Moore, Corey Myers, Wenyu Sun, Bo-Xun Wang, Mengyao Yuan, John R. Kitchin, Carl D. Laird, Matthew J. McNenly, Sneha A. Akhade

Abstract: Highlights•We used linear model decision tree models to optimize a dehydrogenation process.•They can be converted to mixed integer linear programs and globally minimized.•Simultaneous optimization is better than sequential optimization at each scale.