Hybrid Discrete / Continuum Algorithms for Stochastic Reaction Networks
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Jump to search filtersUncertainty quantification of reaction mechanisms accounting for correlations introduced by rate rules and fitted Arrhenius parameters
Combustion and Flame
We study correlations among uncertain Arrhenius rate parameters in a chemical model for hydrocarbon fuel-air combustion. We consider correlations induced by the use of rate rules for modeling reaction rate constants, as well as those resulting from fitting rate expressions to empirical measurements arriving at a joint probability density for all Arrhenius parameters. We focus on homogeneous ignition in a fuel-air mixture at constant-pressure. We outline a general methodology for this analysis using polynomial chaos and Bayesian inference methods. We examine the uncertainties in both the Arrhenius parameters and in predicted ignition time, outlining the role of correlations, and considering both accuracy and computational efficiency. © 2013 The Combustion Institute.
QUEST UQ Methods & Tools Connections to SUPER Research Areas
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Uncertainty Quantification in Computational Models
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Hybrid Discrete - Continuum Algorithms for Stochastic Reaction Networks
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Probabilistic Approaches for Communication Avoidance and Resilience in Exascale Simulations
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Presentation: Validating extreme-scale HPC simulation through Bayesian inference uncertainty quantification
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Sparse surrogate model construction via compressive sensing
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Surrogate Construction and Dimensionality Reduction via Bayesian Compressive Sensing
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Monte Carlo Estimation of Moments: Nonlinearity & Dimensionality
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Benchmark Problems for Uncertainty Quantification in CFD -- Reacting Flow --
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Highlights of QUEST Developments and Partnership Activities
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Analysis and Reduction of Chemical Models under Uncertainty
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Model Reduction in Reacting Flow
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Probabilistic Approaches for Communication Avoidance and Resilience in Exascale Simulations
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Chemical Kinetic Rate Coefficient Estimation Given Partial Information
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DALEC calibration with daily NEE Data at Harvard Forest
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Parameter Estimation with Partial Information
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UQ tutorial slides
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Enforcing Positivity in Intrusive PC-UQ Methods for Reactive ODE Systems
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Parameter Estimation with Missing Data
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Copy of Inference-based Assessment of Ab Initio Rate Coefficient Calculations
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QUEST SNL Activities
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Analysis and Reduction of Chemical Models under Uncertainty
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Probabilistic Schwarz Coupling for Fault-Tolerance and Scalability
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