thermo directory.
The biggest change is the addition of the derivative routines
of the activity wrt mole fraction and mole number.
Also There is an addition of reportCSV() routine, which is
a method to create a comma separated file from ThermoPhase routines.
The rest are small issues.
This mainly involved fixing the copy and assignment operators
for the IonsFromNeutralVPSSTP operator.
Added docs for PDSS_SSVol
Turned on keyword substitution
system so that I can do kinetics with the ThermoPhase object.
For molten salts, we're going with a standard concentration
of 1.0, until there is an argument otherwise. This means
that the kinetics objects, homogeneous and heterogeneous,
will treat the molten salts as unitless.
IonsFromNeutralVPSSTP : This is initially used for molten salts.
Molten salt thermo is treated via the neutral molecule
molten salt expressions. However, ions migrate by themselves.
therefore, you must treat ions within the transport equations.
This thermophase object treats the ions as species, and is
made to be consistent with the neutral molecules thermophase
object that is used to express the non-ideal thermodynamics
of the molten salt solution. Currently, MargulesVPSSTP
is used for this as the LiKCl system is parameterized using
this excess Gibbs free energy formulation.
MargulesVPSSTP
Various upgrades and fillers. It now reads and is initiated
from the input file.
setState_TP(), setTemperature(), and setPressure() within
VPStandardStateTP() formulations
There was some circular logic, previously. Now setTemperature() and setPressure()
are subserviant to setState_TP(). Basically, it doesn't make
sense to calculate the standard state without first getting
both the temperature and pressure (not just one and then the other)
before you calculate the standard state for VPStandardStateTP derivatives.
Think about the water EOS, which is a real fluid. You don't want
to be trying to calculate the standard state within the enveloppe where
neither gas nor liquid is stable.
PseudoBinaryVPSSTP
Deprecated.
