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Reduction of Detailed Chemical Reaction Networks for Detonation

Hung, Patrick and Shepherd, Joseph (2002) Reduction of Detailed Chemical Reaction Networks for Detonation. In: 12th Annual International Detonation Symposium, 11-16 August, 2002, n Diego, California.

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While a detailed mechanism represents the state-of-the-art of what is known about a reaction network, its direct implementation in a fully resolved CFD simulation is all but impossible (except for the simplest systems) with the computational power available today. This paper discusses the concept of Intrinsic Low Dimensional Manifold (ILDM), a technique that systematically reduces the complexity of detailed mechanisms. The method, originally devel-oped for combustion systems, has been successfully extended and applied to gaseous detonation simulations 2,3,4 . Unfortunately, while a one-dimensional ILDM is reasonably easy to compute, manifolds of higher dimensions are notoriously difficult. Moreover, the selec-tion of the manifold dimension has been largely arbitrary, with a one-dimensional ILDM being the most popular if for no other rea-son than that it is easiest to compute and store. In this paper, we will present a technique that enables us to quanti-tatively determine the dimensionality of the ILDM needed, as well as a robust and embarrassingly parallel algorithm for computing high-dimensional ILDMs. Finally, these techniques are demon-strated in the context of a one-dimensional ZND detonation with detailed chemistry.

Item Type:Conference or Workshop Item (Paper)
Shepherd, Joseph0000-0003-3181-9310
Additional Information:Also available in the Caltech Center for Simulation of the Dynamic Response in Materials archive, cit-asci-tr137, at
Group:Center for Advanced Computing Research
Record Number:CaltechCACR:2002.004
Persistent URL:
Usage Policy:You are granted permission for individual, educational, research and non-commercial reproduction, distribution, display and performance of this work in any format.
ID Code:28206
Deposited By: Imported from CaltechCACR
Deposited On:07 Mar 2005
Last Modified:25 Feb 2014 22:06

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