Build a set of important flamelet cases for demonstration and testing purposes
I want a standardized set of representative flamelet cases important to various users. This facilitates testing performance and convenience of new solvers and continuation algorithms. There should be a demonstration corresponding to each of these cases, and we should consider a set of performance tests. Something that generates a nice table of timings so we could easily check the performance impact of a branch vs master. This also helps expose the solvers, parameters, and 'tricks' one can consider when generating new libraries outside of these prototypes.
These cases should involve realistic in situ processing so we can gauge its impact on running real problems - processing 'extra' data and saving to disk are largely unique to each case. Right now the flamelet in situ processing can be slow as there are python loops, especially with chemical explosive mode analysis (griffon will fix this somewhat, see #38 (closed) ). These timings can likely be improved upon and may negate minor solver improvements, and so they should be monitored.
ID | Brief | Fuels | Description |
---|---|---|---|
I | Ignition-extinction: single-stage fuels | Hydrogen, methane, ethylene | Generate an ignition-extinction cycle with fuels that exhibit single-stage ignition. Ignition is caused by a hot air stream, and the fuel is at 300 K. System pressure is one atmosphere. Vary the air temperature from 800 to 1400 K. Save the temperature and mass fractions, and perform full in situ chemical explosive mode analysis. |
II | Ignition-extinction: two-stage fuels | Dimethyl ether, biodiesel | Generate an ignition-extinction cycle with fuels that exhibit two-stage ignition due to low-temperature, degenerate chain branching. Ignition is caused by a hot air stream, and the fuel is at 300 K. Vary the air temperature from 500 to 1400 K. Vary the pressure from 10 to 100 atm. Save the temperature and mass fractions. Perform full in situ chemical explosive mode analysis for DME (eigenvalues, explosion indices, and participation indices for both the first and second modes). Compute only the first and second explosive eigenvalues for biodiesel. |
III | Steady extinction limit | Hydrogen, methane, ethylene, heptane | Generate the extinction branch, down to a automatic estimate of the steady extinction limit, at atmospheric pressure, for air stream temperatures from 800 to 1400 K. Save the temperature, mass fractions, density, enthalpy, heat release rate, and viscosity. |
IV | Extinction with transient extinction | Hydrogen, ethylene | Generate the extinction branch, then increase the dissipation rate near the extinction limit and run a transient calculation to accurately resolve extinction dynamics. Save the temperature, mass fractions, species production rates, density, enthalpy, heat release rate, and viscosity. |
V | Coal particles | Methane, soot | Generate a library over a range of char/volatiles fraction, dissipation rate, and heat loss coefficient, for a system with an air stream at STP and a hot fuel stream. Save the temperature, mass fractions, density, enthalpy, heat release rate, and viscosity. |
VI | Cold shear layer extinction | Hydrogen, methane, heptane | Generate the extinction branch for a flamelet whose fuel and air streams are diluted such that Z_stoich is 0.5, the fuel stream is at 300 K, and the densities of the streams match (modify air temperature). Run at atmospheric pressure. Save the temperature, mass fractions, density, enthalpy, heat release rate, and viscosity. |