On-the-Fly Pruning for Rate-Based Reaction Mechanism Generation
The number of possible side reactions and byproduct species grows very rapidly with the size of a chemical mechanism. A memory-efficient algorithm for automated mechanism generation is presented for coping with this combinatorial complexity. The algorithm selects normalized flux as a metric to ident...
| Main Authors: | , , |
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| Other Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
Elsevier BV,
2020-02-28T20:50:37Z.
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| Subjects: | |
| Online Access: | Get fulltext |