simulation

Autoignition simulation module

class pymars.simulation.Simulation(idx, properties, model, phase_name='', path='')

Class for ignition delay simulations

Parameters

  • idx (int) – Identifer index for case

  • properties (InputIgnition) – Object with initial conditions for simulation

  • model (str) – Filename for Cantera-format model to be used

  • phase_name (str, optional) – Optional name for phase to load from CTI file (e.g., ‘gas’).

  • path (str, optional) – Path for location of output files

calculate_ignition()

Run simulation case set up setup_case, just for ignition delay.

clean()

Delete HDF5 file with full integration data.

process_results(skip_data=False)

Process integration results to sample data

Parameters

skip_data (bool) – Flag to skip sampling thermochemical data

Returns

Ignition delay, or ignition delay and sampled data

Return type

tuple of float, numpy.ndarray or float

run_case(stop_at_ignition=False, restart=False)

Run simulation case set up setup_case.

If no end time is specified for the integration, the function integrates to steady state (or a maximum of 10,000 steps, by default). This is done by checking whether the system state changes below a certain threshold, with the residual computed using feature checking. This is blatantly stolen from Cantera’s cantera.ReactorNet.advance_to_steady_state() method.

Parameters

  • stop_at_ignition (bool) – If True, stop integration at ignition point, don’t save data.

  • restart (bool) – If True, skip if results file exists.

Returns

self.ignition_delay – Computed ignition delay in seconds

Return type

float

setup_case()

Initialize simulation case.