rizer.kin.extend_NASA9_temperature_limits#

Classes#

`SpeciesThermoData`	Data class to hold thermo properties of one species in both valid and extrapolated ranges.
`Nasa9TemperatureLimitsExtender`	Extend NASA9 thermo ranges with a high-temperature constant-cp continuation.

Module Contents#

class rizer.kin.extend_NASA9_temperature_limits.SpeciesThermoData#

Data class to hold thermo properties of one species in both valid and extrapolated ranges.

ct_species: cantera.Species#

pmutt_nasa9: pmutt.empirical.nasa.Nasa9#

temperatures_valid: numpy.ndarray#

cp_valid: numpy.ndarray#

h_valid: numpy.ndarray#

s_valid: numpy.ndarray#

g_valid: numpy.ndarray#

temperatures_extrapolation: numpy.ndarray#

cp_bad_extrapolation: numpy.ndarray#

h_bad_extrapolation: numpy.ndarray#

s_bad_extrapolation: numpy.ndarray#

g_bad_extrapolation: numpy.ndarray#

cp_corrected_extrapolation: numpy.ndarray#

h_corrected_extrapolation: numpy.ndarray#

s_corrected_extrapolation: numpy.ndarray#

g_corrected_extrapolation: numpy.ndarray#

class rizer.kin.extend_NASA9_temperature_limits.Nasa9TemperatureLimitsExtender(mechanism_to_extend: pathlib.Path, new_mechanism_to_write: pathlib.Path | None = None, excluded_species: list[str] | None = None, max_temperature_extrapolated: float = 100000.0, number_of_points_fit: int = 1000, tolerance_check_coefficients: float = 0.001)#

Extend NASA9 thermo ranges with a high-temperature constant-cp continuation.

Parameters:

mechanism_to_extend (pathlib.Path) – Path to the input mechanism file containing NASA9 thermo data to extend.
new_mechanism_to_write (pathlib.Path or None, optional) – Path to write the new mechanism with extended temperature ranges. If None, no file is written and the extended data is only available in memory.
excluded_species (list of str, optional) – List of species names to exclude from extension (e.g. if they have non-NASA9 thermo or are not relevant).
max_temperature_extrapolated (float, optional) – Maximum temperature to which to extrapolate the thermo data (in K). Must be greater than the maximum valid temperature of the original NASA9 data.
number_of_points_fit (int, optional) – Number of temperature points to use for the PMUTT fit in both valid and extrapolated ranges.
tolerance_check_coefficients (float, optional) – Tolerance for checking that PMUTT-fitted coefficients match original Cantera coefficients in the valid range.

Notes

Cantera species thermo properties are handled in kmol-based SI units (e.g. J/kmol/K for \(C_p\)). The PMUTT fitting API is fed with corresponding dimensionless reference quantities.

mechanism_to_extend#

new_mechanism_to_write = None#

excluded_species = None#

max_temperature_extrapolated = 100000.0#

number_of_points_fit = 1000#

tolerance_check_coefficients = 0.001#

species_list: list[cantera.Species]#

species_thermo_data_list: list[SpeciesThermoData] = []#

load_species_thermo_data() → list[SpeciesThermoData]#: Load thermo data for all species and store it in the class.

write() → None#: Extend temperature limits of NASA9 polynomial thermo data for Cantera.

plot_species_thermo_data(species_name: str) → None#: Plot the fitted and reference thermo curves for one species.