Original article: Application of the Polynomial Chaos Expansion to the simulation of chemical reactors with uncertainties

Authors:
M. Villegas;F. Augustin;A. Gilg;A. Hmaidi;U. Wever
Affiliations:
Technische Universität München, Bolzmanstraíe 3, D85748 Garching, Germany;Technische Universität München, Bolzmanstraíe 3, D85748 Garching, Germany;Siemens AG, Corporate Technology, Otto-Hahn-Ring 6, D81730 Munich, Germany;Technische Universität München, Bolzmanstraíe 3, D85748 Garching, Germany;Siemens AG, Corporate Technology, Otto-Hahn-Ring 6, D81730 Munich, Germany
Venue:
Mathematics and Computers in Simulation
Year:
2012

Citing 6
Cited 1

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Chemical Engineering Dynamics: An Introduction to Modelling and Computer Simulation

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Preconditioned Bayesian Regression for Stochastic Chemical Kinetics

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Abstract

In this paper we consider the simulation of probabilistic chemical reactions in isothermal and adiabatic conditions. Models for reactions under isothermal conditions result in advection equations, adiabatic conditions yield the reactive Euler equations. In order to treat with scattering data, the equations are projected onto the polynomial chaos space. Scattering data can largely affect the estimation of quantities in the system, including variable optimization. This is demonstrated on a selective non-catalytic reduction of nitric oxide.