Fix adiabatic_flame.py module

[ischoegl]

Mixture-averaged and multi-component diffusion used to give different results, see old ctwrap. They no longer do ...

[ischoegl]

Both groups point to the same flame object ... Python treats everything as a reference

[ischoegl]

This may require a second flame object. Note that simulations can be restarted, see:
https://github.com/Cantera/cantera/blob/d8e62addc8bc535588cbf8d1bd832010b22acf1f/interfaces/cython/cantera/onedim.py#L96

[DavidAkinpelu]

Process Process-1:
Traceback (most recent call last):
  File "/home/david/anaconda3/envs/ctwrap/lib/python3.7/multiprocessing/process.py", line 297, in _bootstrap
    self.run()
  File "/home/david/anaconda3/envs/ctwrap/lib/python3.7/multiprocessing/process.py", line 99, in run
    self._target(*self._args, **self._kwargs)
  File "/home/david/ctwrap/ctwrap/simulation.py", line 752, in worker
    obj.run(group, config, **kwargs)
  File "/home/david/ctwrap/ctwrap/simulation.py", line 143, in run
    self.data = self._module.run(name, **config, **kwargs)
  File "/home/david/ctwrap/ctwrap/modules/adiabatic_flame.py", line 104, in run
    g.solve(loglevel)  # don't use 'auto' on subsequent solves
  File "/home/david/anaconda3/envs/ctwrap/lib/python3.7/site-packages/cantera/onedim.py", line 864, in solve
    return super().solve(loglevel, refine_grid, auto)
  File "interfaces/cython/cantera/onedim.pyx", line 1139, in cantera._cantera.Sim1D.solve
cantera._cantera.CanteraError: 
***********************************************************************
CanteraError thrown by OneDim::timeStep:
Time integration failed.
***********************************************************************

[DavidAkinpelu]

This is what I am trying to do.

    # set up flame object
    width = domain.width.m_as('meter')
    f = ct.FreeFlame(gas, width=width)
    f.set_refine_criteria(ratio=3, slope=0.06, curve=0.12)
    if loglevel > 0:
        f.show_solution()

    out = {}

    # Solve with mixture-averaged transport model
    f.transport_model = 'Mix'
    f.solve(loglevel=loglevel, auto=True)

    # Solve with the energy equation enabled
    if loglevel > 0:
        f.show_solution()
    msg = '    {0:s}: mixture-averaged flamespeed = {1:7f} m/s'
    print(msg.format(name, f.velocity[0]))

    group = name + "_mix"
    out[group] = f

    f_sol = f.to_solution_array()

    # Solve with multi-component transport properties
    g = ct.FreeFlame(gas, width=width)
    g.set_initial_guess(data=f_sol)
    g.set_refine_criteria(ratio=3, slope=0.06, curve=0.12)
    g.transport_model = 'Multi'
    g.solve(loglevel)  # don't use 'auto' on subsequent solves
    if loglevel > 0:
        g.show_solution()
    msg = '    {0:s}: multi-component flamespeed  = {1:7f} m/s'
    print(msg.format(name, g.velocity[0]))

[ischoegl]

Ok. The restart doesn’t appear to work. Can you troubleshoot this in a jupyter notebook (I.e. without ctwrap)

[DavidAkinpelu]

Okay

[ischoegl]

When you set g, the gas won’t have the correct composition any longer