on m_speciesStatus[]. If a phase is zeroed explicitly and the
status flag is set, then the mole fraction term is dropped out
of the free energy calculation.
This will ensure that the deficient free energy of formation
is evaluated for each species within these phases.
This is the same information, but now its over kspec instead
of irxn. This clarifies the code, and allows for the specification
of the status of component species. For example, component
species can now be specified to have VCS_SPECIES_ZEROEDMS.
Now it is optional to specify E in the atomArray. The value is
calculated from the species Charge automatically. E is still in the
element list for the phase.
Now, you don't have to put E explicitly in the element list for
the phase. It's automatically included if it's needed.
standard states, along with a description of the source for the
values. This was done by Carlos Jove-Colon.
The database is needed to convert gibbs free energies of formation
for each species to species chemical potentials.
as another entry in the file elements.xml. Took this information out of
PDSS_HKFT.cpp, where it was inappropriately cached.
This information is needed for conversion of Gibbs free energies of formations
for speices and the NIST chemical potential formulation where the DelH_f is set to zero.
The Gibbs free energies of formation is the fundamental way EQ3 specifies the
reference state chemical potential of a species.
thermo XML node now takes a couple of extra XML nodes that can specify
explicitly which standardStateManager and which variblePressureStandardState
manager to use.
These are :
<standardStateManager model="provide_specific_model_here">
and
<variablePressureStandardStateManager model="provide_specific_model_here">
Previously, these were being determined implicitly by querying the
input deck. However, it seems a no brainer to put the capability for
putting explicit instructions in.
characters other than ' \n\t' (e.g., a carriage return) to fail to
be read properly. This single issue may be cause of multiple problems
with running Cantera on pc's.
