Uncertainty Quantification in Turbulent Combustion Simulations
创建: Mar 04, 2018 | 17:21
介绍
A comprehensive UQ framework is developed to discriminate among probabilistic models corresponding to each candidate active site. Each probabilistic model consists of a microkinetic model, a probabilistic discrepancy model to account for errors between model predictions and observations, and a prior distribution over the intermediates, transition states, as well as gas molecule corrections and model discrepancy parameters. Three hypotheses regarding the active site for the water-gas shift reaction on Pt/TiO2 catalysts are tested using the proposed UQ framework.
- E. Walker, D. Mitchell, G. Terejanu, and A. Heyden, “Identifying Active Sites of the Water-Gas Shift Reaction over Titania Supported Platinum Catalysts under Uncertainty,” under review ACS Catalysis, 2017.