Journal
COMBUSTION AND FLAME
Volume 158, Issue 8, Pages 1439-1443Publisher
ELSEVIER SCIENCE INC
DOI: 10.1016/j.combustflame.2010.12.010
Keywords
Mechanism reduction; Skeletal mechanism; DRG; DRGEP; Graph search algorithm; Dijkstra's algorithm
Categories
Funding
- National Science Foundation [0932559]
- Department of Defense through the National Defense Science and Engineering
- Div Of Chem, Bioeng, Env, & Transp Sys
- Directorate For Engineering [0932559] Funding Source: National Science Foundation
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The importance of graph search algorithm choice to the directed relation graph with error propagation (DRGEP) method is studied by comparing basic and modified depth-first search, basic and R-value-based breadth-first search (RBFS), and Dijkstra's algorithm. By using each algorithm with DRGEP to produce skeletal mechanisms from a detailed mechanism for n-heptane with randomly-shuffled species order, it is demonstrated that only Dijkstra's algorithm and RBFS produce results independent of species order. In addition, each algorithm is used with DRGEP to generate skeletal mechanisms for n-heptane covering a comprehensive range of autoignition conditions for pressure, temperature, and equivalence ratio. Dijkstra's algorithm combined with a coefficient scaling approach is demonstrated to produce the most compact skeletal mechanism with a similar performance compared to larger skeletal mechanisms resulting from the other algorithms. The computational efficiency of each algorithm is also compared by applying the DRGEP method with each search algorithm on the large detailed mechanism for n-alkanes covering n-octane to n-hexadecane with 2115 species and 8157 reactions. Dijkstra's algorithm implemented with a binary heap priority queue is demonstrated as the most efficient method, with a CPU cost two orders of magnitude less than the other search algorithms. (C) 2010 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
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