Added a built-in type to handle electrons in metals that
follow the SHE convention.
Took out electrodeElectron, since it was hidden and not used.
MetalSHEelectrons have a standard concentration of 1, instead
of the previous treatment where SHE electrons had a standard
concentration equal to the concentration of an ideal gas.
There were two changes:
Additions to support some reversible reactions which have fractional
stoichiometries. These were not allowed previously. However, if
the species with fractional stoichiometries are in single-species
phases, this is ok, and actually necessary for some solid-phase
reactions.
Removed comments from DEBUG_MODE about about too high or low an activation
for electrode reactions.
The function getActivityConcentration in the HMWSoln object had
a bug in it that caused it to be incompatible with standardConcentration()
and getActivities(). This meant that the ROP in kinetics managers
for this object was being calculated incorrectly.
This is now fixed.
The function getActivityConcentration in the HMWSoln object had
a bug in it that caused it to be incompatible with standardConcentration
and getActivities(). This meant that the ROP in kinetics managers
for this object was being calculated incorrectly.
phase eos type. We've not had this until now.
The idea here is to have a 1 to 1 mapping between an
eosType int and a string, which can be used for writing output.
This mainly involved fixing the copy and assignment operators
for the IonsFromNeutralVPSSTP operator.
Added docs for PDSS_SSVol
Turned on keyword substitution
Added some comments plus members
+ DenseMatrix visc_Eij;
+ DenseMatrix visc_Sij;
These members are not populated in any way at this point. A message
to this effect is written in
TransportFactory::getLiquidTransportData.
LiquidTransport.h LiquidTransport.cpp
Changed the types of viscosity models from
const int LVISC_CONSTANT = 0;
- const int LVISC_WILKES = 1;
- const int LVISC_MIXTUREAVG = 2;
to
const int LVISC_CONSTANT = 0;
+ const int LVISC_INTERACTION = 1;
+ const int LVISC_AVG_ENERGIES = 2;
These are not yet implemented.
Added members
+ DenseMatrix m_visc_Eij;
+ DenseMatrix m_visc_Sij;
+ vector_fp m_hydrodynamic_radius;
+ vector_fp m_visc_logA; //logarithm of coefficient
Removed unneeded members:
- vector_fp m_eps;
- doublereal m_sqrt_t;
- doublereal m_t14;
- doublereal m_t32;
- doublereal m_sqrt_kbt;
Changed the name of m_cond to m_condSpecies in agreement with the
m_viscSpecies pattern.
Implemented some code in LiquidTransport::viscosity() to compute the
molecular interactions relevant to mixture viscosity, BUT none of the
required parameters or flags are implemented at this point.
