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

作者：Villegas M^*; Augustin F; Gilg A; Hmaidi A; Wever U

来源：Mathematics and Computers in Simulation, 2012, 82(5): 805-817.

DOI：10.1016/j.matcom.2011.12.001

• Polynomial chaos
• Stochastic differential equations
• Chemical kinetics
• Nitric oxide reduction

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.

• 出版日期2012-1