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
liquidTransportDevelop into the main trunk. This seemed like a good time
to do it. And, there were some fundamental bugs that were fixed just on
the change branch.
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.
Removed a number of variables relevant only to the gas-phase transport
coefficient models. These include the following:
- vector_fp m_cond;
- vector_fp m_polytempvec;
- vector<vector_fp> m_condcoeffs;
- std::vector<vector_fp> viscCoeffsVector_;
- vector_fp m_sqvisc;
- vector_fp viscSpecies_;
- DenseMatrix m_wratkj1;
- DenseMatrix m_phi;
- DenseMatrix m_wratjk;
Removed much code related to these variables.
Added a number of variables relevant to the liquid-phase transport
models including:
+ vector_fp m_condSpecies;
+ vector_fp m_viscSpecies;
+ vector_fp m_visc_A;
+ vector_fp m_visc_n;
+ vector_fp m_visc_Tact;
+ vector_fp m_thermCond_A;
+ vector_fp m_thermCond_n;
+ vector_fp m_thermCond_Tact;
Changed some of the relevant comments to
pertain to the liquid-phase models.
