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- W2528376253 abstract "A fully automated strategy is discussed to construct reduced chemistry suitable for the numerical simulation of stationary combustion systems of large dimension, such as auto-thermal reforming (ATR) of natural gas for syngas production. Because of computing limitations in terms of space and time resolution, three-dimensional simulations of an ATR unit cannot be addressed with detailed chemistry. A procedure is proposed to automatically derive optimised and reduced chemical schemes under specific ATR operating conditions. A stochastic model problem is first designed to probe the dynamical response of a detailed chemical scheme, over a large range of chemical compositions of the mixture. Reference composition space trajectories are built, featuring turbulent micro-mixing and reactions. Following these trajectories, the chemical response is analysed using directed relation graphs with error propagation combined with quasi-steady state hypothesis, to reduce the number of species and elementary reactions. Then, the time evolution of the model problem is coupled with a genetic algorithm, to optimise on the fly the chemical rates of the reduced kinetics, according to the reference composition space trajectories. The accuracy of the reduced scheme is monitored with a fitness function and the results are tested against the reference detailed chemistry." @default.
- W2528376253 created "2016-10-14" @default.
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- W2528376253 date "2017-01-01" @default.
- W2528376253 modified "2023-09-30" @default.
- W2528376253 title "Auto-thermal reforming (ATR) of natural gas: An automated derivation of optimised reduced chemical schemes" @default.
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- W2528376253 doi "https://doi.org/10.1016/j.proci.2016.07.110" @default.
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