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[1D] Check for Soret diffusion in auto flame solver

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Don't use Soret diffusion for the initial solve steps, and re-enable it
at the end if the user desires
This commit is contained in:
Bryan W. Weber 2018-03-05 18:37:44 -05:00
parent a03afbd56e
commit 4bd5e92694
No known key found for this signature in database
GPG key ID: 3A93E209C87E1FE7
1 changed files with 11 additions and 1 deletions
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12
interfaces/cython/cantera/onedim.pyx
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@ -875,6 +875,11 @@ cdef class Sim1D:
dom.set_steady_tolerances(default=(1e-4, 1e-9))
dom.set_transient_tolerances(default=(1e-4, 1e-11))
# Do initial steps without Soret diffusion
soret_doms = [dom for dom in self.domains if getattr(dom, 'soret_enabled', False)]
for dom in soret_doms:
dom.soret_enabled = False
# Do initial solution steps without multicomponent transport
solve_multi = self.gas.transport_model == 'Multi'
if solve_multi:
@ -963,6 +968,11 @@ cdef class Sim1D:
if isinstance(dom, _FlowBase):
dom.set_transport(self.gas)
if soret_doms:
log('Solving with Soret diffusion')
for dom in soret_doms:
dom.soret_enabled = True
if have_user_tolerances:
log('Solving with user-specifed tolerances')
for i in range(len(self.domains)):
@ -972,7 +982,7 @@ cdef class Sim1D:
rel=rtol_ts_final[i])
# Final call with expensive options enabled
if have_user_tolerances or solve_multi:
if have_user_tolerances or solve_multi or soret_doms:
self.sim.solve(loglevel, <cbool>True)