Time integration of chemical kinetics with computational singular perturbation and tabulation

B. Debusschere, B. Rhoads, H. Najm, Y. Marzouk, M. Valorani, D. Goussis, M. Frenklach

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Computational Singular Perturbation (CSP) allows the identification and removal of fast time scales in stiff chemical kinetic systems, thereby enabling time integration with explicit time stepping algorithms along slow invariant manifolds in the system. In this paper, we develop a tabulation method to improve the efficiency of the CSP integration approach by allowing re-use of previously computed CSP information. To enable flexible, adaptive, and efficient tabulation in chemical systems with high-dimensional state spaces, the method relies on nearest neighbor searches in kd-tree data structures. As the CSP information only depends on the current number of active modes in the system, tables can be constructed in a reduced-dimensional space, with increased efficiency as the number of exhausted modes increases. The approach is demonstrated on the simulation of hydrogen-air autoignition.

Original languageBritish English
Title of host publicationFall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting
Pages327-335
Number of pages9
ISBN (Electronic)9781615676507
StatePublished - 2009
EventFall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 - Irvine, United States
Duration: 26 Oct 200927 Oct 2009

Publication series

NameFall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting
Volume1

Conference

ConferenceFall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009
Country/TerritoryUnited States
CityIrvine
Period26/10/0927/10/09

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