The thermophase ConstDensityThermo instantiates a class with
constant density_mass Such a model is of dubious physical
validity/applicability and has minimal foreseeable use cases.
This commit marks it for deprecation, and adds a message in
ctml_writer.py (where the model has the misleading alias
'incompressible_solid') refering the interested user to consider
appropriate alternate thermophase classes 'lattice' or
'IdealSolidSoln.'
In the case where temperature changes but the mole fractions are the same, we
still need to apply the enthalpy and entropy offsets to the tabulated species.
Since IdealSolidSolnPhase::_updateThermo wasn't a virtual method, and
the signatures didn't match (const vs non-const), calls to this method
from IdealSolidSolnPhase weren't being overridden by
BinarySolutionTabulatedThermo::_updateThermo as expected.
-Fixes small typo id incclude/cantera/base/utilities.h docstring
-Removes `m_formGC` from BinarySolutionTabulatedThermo class, and
instead utilizes version and functionality inherited from parent
class `IdealSolidSolnPhase`.
-Moves samples/matlab/lithium_ion_battery/lithium_ion_battery.cti
to data/inputs/lithium_ion_battery.cti
-Fixes typo in test/data/BinarySolutionTabulatedThermo.cti
-Updates expected_result values in several test cases in
test/thermo/BinarySolutionTabulatedThermo_Test.cpp
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.
Text in the header file previously commented that the RedlichKwongMFTP
thermo class had no test suite coverage and was at risk for deprecation.
As this is no longer the case, this PR removes that language.
This only works because the "dot" function is always called with std::vector<T>::iterator as input so that "argument dependent lookup" introduces the std namespace to the function. If the dot function is called like this "dot(v.data(), v.data()+v.size(), v.data())", where "v" is a std::vector and the input are plain pointers, the compiler will not find "inner_product". The same is true for the use of "accumulate".
