Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO <sub>2</sub> Hydrogenation on Ni(111)
Bjarne Kreitz, Khachik Sargsyan, Katrín Blöndal, Emily Mazeau, Richard H. West, Gregor D. Wehinger, Thomas Turek, C. Franklin Goldsmith
Abstract
methanation and can be easily extended to other challenging heterogeneously catalyzed reactions.
Topics & Concepts
MethanationParametric statisticsSensitivity (control systems)Parameter spaceUncertainty analysisProcess (computing)Computer scienceBiological systemChemistryCatalysisMathematicsSimulationStatisticsEngineeringOperating systemBiologyBiochemistryElectronic engineeringCatalysts for Methane ReformingCatalytic Processes in Materials ScienceMembrane Separation and Gas Transport