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Chaos 9, 95 (1999); http://dx.doi.org/10.1063/1.166383 (13 pages)
Reaction network reduction for distributed systems by model training in lumped reactors: Application to bifurcations in combustion
(Received 8 August 1998; accepted 30 December 1998)
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Add to FacebookA new methodology is presented to derive reduced reaction mechanisms for distributed reacting flows by model training in a lumped parameter system (a continuous-stirred tank reactor). The method identifies the relevant transport time scales in the reaction zone of a distributed system along with the local composition vector, over a range of operation conditions. A training box in the parameter space of pressure-transport time scale-composition is then identified. Sensitivity and principal component analyses are subsequently performed at bifurcation points in a lumped parameter system at representative conditions of the training box. The most inclusive chemistry derived in the lumped system captures the proper transport–chemistry coupling and is suitable for the distributed reactor. Application to ignition of hydrogen/air and methane/air mixtures is presented and validated for premixed and diffusion flames in a stagnation flow geometry. © 1999 American Institute of Physics.
© 1999 American Institute of Physics
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E. P. Dougherty and H. Rabitz, "Computational kinetics and sensitivity analysis of hydrogen–oxygen combustion," J. Chem. Phys. 72, 6571–6586 (1980)JCPSA6000072000012006571000001.
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