research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Small changes to cover the situation where there isn't an

Browse source 
activity coefficient XML section.
This commit is contained in:
Harry Moffat 2008-09-17 20:05:46 +00:00
parent 86b9899e74
commit 4dcb746101
2 changed files with 11 additions and 12 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

1
Cantera/src/thermo/HMWSoln.cpp
View file

@ -1454,6 +1454,7 @@ namespace Cantera {
int leng = m_kk;
m_electrolyteSpeciesType.resize(m_kk, cEST_polarNeutral);
m_speciesSize.resize(leng);
m_speciesCharge_Stoich.resize(leng, 0.0);
m_Aionic.resize(leng, 0.0);
m_expg0_RT.resize(leng, 0.0);

22
Cantera/src/thermo/HMWSoln_input.cpp
View file

@ -1001,6 +1001,16 @@ namespace Cantera {
*/
m_waterProps = new WaterProps(dynamic_cast<PDSS_Water*>(m_waterSS));
/*
* Fill in parameters for the calculation of the
* stoichiometric Ionic Strength
*
* The default is that stoich charge is the same as the
* regular charge.
*/
for (k = 0; k < m_kk; k++) {
m_speciesCharge_Stoich[k] = m_speciesCharge[k];
}
/*
* Go get all of the coefficients and factors in the
@ -1067,18 +1077,6 @@ namespace Cantera {
}
/*
* Fill in parameters for the calculation of the
* stoichiometric Ionic Strength
*
* The default is that stoich charge is the same as the
* regular charge.
*/
m_speciesCharge_Stoich.resize(m_kk, 0.0);
for (k = 0; k < m_kk; k++) {
m_speciesCharge_Stoich[k] = m_speciesCharge[k];
}
/*
* First look at the species database.
* -> Look for the subelement "stoichIsMods"