While the current 'liquid-water-IAPWS95' thermo model only implements liquid
(and supercritical) states, the underlying IAPWS formulation can be extended
beyond in future revisions.
- avoid 'liquid' as part of the nomenclature
- YAML phase name is updated to `water-iapws95`
- Instead of creating a new wrapper, `iapws95` is added as an alternative
backend to the existing `Water` class
The old version of the sample was using a strange definition for the
composition of air which corresponded to neither of the typical
approximations, for example "O2: 1.0, N2: 3.76" or "O2: 0.21, N2: 0.79".
This is the same method used for profile comparisons in the Python test
suite. These comparisons are skipped (with a warning) if Numpy is not
installed.
- Use more standard approach to handling constructor kwargs
- Provide default values for additional arguments
- Integrate handling of programs used for multiple tests
Some of the build files in the test_problems folder were not being
cleaned by scons test-clean. This seems to be because they were not the
same name as the executable.
This model can easily be replaced with StoichSustance using ConstCpPoly for the
species thermo.
The changed values in the LiSi regression tests suggest that there are some
implementation errors in the FixedChemPotSSTP class which will be automatically
resolved by eliminating it.
Replace data/inputs/diamond.cti with test_problems version that has
more information. This results in a change in the default pressure and
mole fractions of the gas phase, which in turn changes the result of
one of the regression tests. This is fixed by setting the composition
and pressure of the gas phase in the test to their original values. The
default state from the CTI file matches from the paper.
In addition, there was a difference in the reversibility of reaction u
between the files. Since the thermo for C(d) specifies that the
reaction is irreversible, this is the sense of the reaction that is
chosen.
Include plotting in the diamond_cvd.py and use open properly.
* add deprecation warning for int ReactorBase::type() (to be changed after Cantera 2.5)
* introduce temporary std::string ReactorBase::typeStr() (to be renamed after Cantera 2.5)
* deprecate all functions using the old call and introduce associated temporary functions
Update test_problems for rankine and pureFluid to avoid using the
deprecated PureFluid.h convenience wrapper classes. Update the
rankine.cpp test problem to match the rankine.cpp sample. Switch
both test_problems updated here to use writelog instead of
printf/cout.
The old (C++) ck2cti program unnecessarily rounded some species transport
coefficients. This updates the coefficients in the input files derived from GRI
3.0, and updates the test comparisons for affected tests.
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.
Raymond Speth
Ingmar Schoegl
Bryan W. Weber
Ingmar Schoegl
Paul
agarwalrounak