F.4. Reaction Mechanisms Used in the Table Generation

The laminar flame-speed tables included with Ansys Forte were all generated using the latest and most well-validated mechanism database from the Model Fuels Consortium [15]. The high-temperature portion of the full mechanism (which was used for this work) contains 1147 species and 6720 reactions, which covers over 40 fuel components in a self-consistent database validated over a wide range of fundamental combustion experiments. Since the full mechanism was too large for practical flame-speed table generation, the mechanism was first reduced conservatively using Reaction Workbench [30] utilities. For the C1-C4 components, a simple C# extraction was used, where the species and reactions kept in the reduced mechanism were for the carbon number of N+1, where N was the number associated with the fuel component of interest. For larger components, error-controlled, skeletal mechanism-reduction methods were employed, where target tolerances were tightly controlled. The flame-speeds calculated with the reduced mechanism were verified to be within a few percent or less of the full mechanism results.

Details on the validation history of the full mechanism database are available for the C1-C4 components, as reported by Naik et al. [23]. Sample comparisons to data for higher carbon-number alkanes are reported by Puduppakkam et al. [27]. In all cases the detailed mechanism provides predictions that agree with the available measured values within experimental uncertainty.