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In case anyone's interest was piqued by the complicated reaction mechanisms involved in even relatively simple combustion problems, you can automatically genera
by probdist 11y ago
In case anyone's interest was piqued by the complicated reaction mechanisms involved in even relatively simple combustion problems, you can automatically generate these mechanisms using software called "Reaction Mechanism Generator" http://rmg.mit.edu/ http://rmg.mit.edu/ produced by a group in MIT's department of Chemical Engineering.
You wouldn't want to have to determine parameters and pathways for a 53 species 300+ reaction mechanism except in a highly automated fashion.