This formulation for the reactor's governing equations significantly improves the performance of integrator, mostly by improving the quality of the Jacobian. The effect is small for smaller mechanisms (GRI 3.0) but can lead to order-of-magnitude improvements for mechanisms with hundreds or thousands of species. Since this set of variables corresponds to the intrinsic state variables used for IdealGasPhase objects, we also eliminate the need to iterate when setting the state of the thermo object. Additionally, by using temperature as an independent variable, the temperature-dependent parts of the kinetic rate expressions do not need to be recomputed while updating the Jacobian (this optimization is not currently implemented). |
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