Using negative values to indicate unspecified parameters doesn't work, since
either constant in "a = a0 + a1*T" can be negative and still produce a positive
value for "a". Instead, NaN can be used for this purpose.
Since VPStandardStateTP and derived classes do not use the reference state
thermodynamic properties in the m_spthermo object, we can just install
placeholder objects there, and eliminate the wrapper clas STITbyPDSS.
In some models, SpeciesThermoInterpType objects on individual species are not
used. Instead of requiring the specification of placeholder thermo data, this
allows the base SpeciesThermoInterpType class to be used, which will throw an
exception if it is inadvertently used.
Eliminate several member variables which shadow variables of the
VPStandardState class, and actually contained the same information
calculated a different way.
Adds capability for RedlichKwongMFTP to read a database of critical properties
for Tc and Pc of common species, so that users do not need to input pureFluidParameters
for every single species, thereby reducing burden during creation of new cti files.
For any species where pureFluidParameters are not provided by the user, function
getCoeffs scans the database looking for matches. Any unmatched species will throw
an error. Currently only scans by species name string, and is only intended for
common species with well-known critical properties.
Current operation is quite slow if the table is consulted for a large number of
species. In the future, should also implement the capability to write the updated
pureFluidParameters back into the xml file, so the user only has to perform the lookup
once.
When the nonreactant_orders option was enabled, specifying reactant orders for
species which were not present in the phase previously resulted in out-of-bounds
memory access.
Discontinuities in heat capacity, in contrast to enthalpy and entropy, are less
of a problem and are not always indicative of problems with a mechanism. As
such, a looser tolerance on this quantity is reasonable.
This threshold eliminates warnings from the nDodecane_Reitz.cti input file included with Cantera.
Looser tolerances can lead to instabilities, especially in cases where negative
concentrations of charged species are found at the end of the first solving
stage.
This makes it possible to implement alternative constitutive relations
(e.g. ionized or non-ideal gases) as a derived class from StFlow and have them
support all of the standard flame configurations (freely propagating, burner
stabilized, counterflow).
Previously, calls to setTemperature, setDensity, and setState_TR did not result
in the underlying Substance object being updated. In addition, the
isothermalCompressibility and thermalExpansionCoeff methods did not synchronize
the state.
Now, setting the state of the PureFluidPhase object always sets the state of the
Substance object, and no synchronization is required in property calculation
functions.
When calling ck2cti via the C++ wrapper function, the output of the
'convertMech' function (usually an empty list) would be printed. Fixes a bug
introduced in db90a7c.
Results in increase in mixture-averaged thermal conductivity of ~1% or less, and
a similar increase in laminar flame speeds, at least for some test cases.
These model strings were being treated in TransportFactory in a way that
effectively resulted in creation of regular 'Mix' and 'Multi' transport objects.
Saved element potentials are only valid at equilibrium, and may not be a good
guess for calls to equilibrate() after the state has changed.
By always using the estimation method for the element potentials at the start of
the ChemEquil algorithm, the results of equilibrate() are repeatable, and do not
depend on the results of previous calls to equilibrate().
Resolves#524
