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Zbl 1242.65015
Villegas, M.; Augustin, F.; Gilg, A.; Hmaidi, A.; Wever, U.
Application of the polynomial chaos expansion to the simulation of chemical reactors with uncertainties. (English)
[J] Math. Comput. Simul. 82, No. 5, 805-817 (2012). ISSN 0378-4754

Summary: 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.

MSC 2000:: *65C30 Stochastic differential and integral equations
60H15 Stochastic partial differential equations
35R60 PDE with randomness
60H35 Computational methods for stochastic equations
80A32 Chemically reacting flows
65P20 Numerical chaos

Keywords: polynomial chaos; stochastic differential equations; chemical kinetics; nitric oxide reduction; numerical examples; reactive Euler equations; scattering

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