These are implementations of tpx::Substance which cannot actually be
instantiated from within the PureFluidPhase wrapper class.
The broken implementation of a CTML class for redlich_kwong is removed here.
A functional implementation of the Redlich-Kwong equation of state remains in
class RedlichKwongMFTP.
Resolves#263
This allows one to define functions in Python which will be called after each
successful time step or steady state solve, from which the state of the solver
can be inspected.
All reaction-sized arrays are now allocated as reactions are added, which means
that the finalize() method is unnecessary and reactions can be continuously
added, even after the Kinetics object has been used for rate calculations.
This can be used to invalidate cached data after a change to underlying data
such as species thermo coefficients or reaction rate coefficients. Needs to be
user-accessible so that dependent objects can be updated manually.
This ensures that deprecated methods aren't being called anywhere in the test
suite, without having to manually scan the test output for warning messages.
Increasing the density of grid points is more likely to lead to a non-extinct
solution, but takes longer to solve. To give good average-case performance,
first try solving on a grid with few points, then increase the number of points
until a reacting solution is found, if possible.
For most problems, these new default tolerances for both time stepping and
steady state solves are more likely to converge than tighter tolerances, but
still give well-resolved results. Tighter tolerances are required in some cases,
e.g. when evaluating sensitivity coefficients by finite difference.
These values were selected for optimal performance across a large set of flames
in each configuration and using mechanisms of various sizes to give good average
performance. It should not generally be necessary for users to change these
values.
The new formula is based on a set of test flames where the density ratio of the
fuel and oxidizer streams was varied by changing temperature and fuel
composition and the flame position was calculated as the centroid of the H2O
mass fraction profile.
Specifying this option allows the user to automatically execute the efficient
sequence of solving on the initial grid, enabling the energy equation, refining,
tightening tolerances, and enabling multicomponent transport in a single call to
Sim1D.solve.
The existing functions for getting tolerances are difficult to use because
they return the tolerances based on the steady/unsteady mode of the solver
which the user shouldn't have to care about (and can't easily set).
Boundaries do not necessarily have species variables, so setting species
tolerances will now raise an exception. This approach also avoids making
the assumption that the index of the first species equation is 4 in flow
domains.
