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Uncertainty quantification in chemical systems. (English) Zbl 1176.92059

Summary: We demonstrate the use of multiwavelet spectral polynomial chaos techniques for uncertainty quantification in non-isothermal ignition of a methane-air system. We employ Bayesian inference for identifying the probabilistic representation of the uncertain parameters and propagate this uncertainty through the ignition process. We analyze the time evolution of moments and probability density functions of the solution. We also examine the role and significance of dependence among the uncertain parameters. We finish with a discussion of the role of non-linearity and the performance of the algorithm.

MSC:

92E99 Chemistry
92E20 Classical flows, reactions, etc. in chemistry
92-08 Computational methods for problems pertaining to biology
62F15 Bayesian inference
37D45 Strange attractors, chaotic dynamics of systems with hyperbolic behavior

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