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

[Thermo] Remove unused ionic radius from HMWSoln

Browse source
This commit is contained in:
Ray Speth 2017-08-05 13:35:51 -04:00
parent d07908f9c9
commit 4b69c7f265
7 changed files with 0 additions and 45 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

9
include/cantera/thermo/HMWSoln.h
View file

@ -1608,12 +1608,6 @@ public:
virtual double d2A_DebyedT2_TP(double temperature = -1.0,
double pressure = -1.0) const;
//! Reports the ionic radius of the kth species
/*!
* @param k Species index
*/
double AionicRadius(int k = 0) const;
//! Print out all of the input Pitzer coefficients.
void printCoeffs() const;
@ -1698,9 +1692,6 @@ private:
*/
int m_formPitzerTemp;
//! a_k = Size of the ionic species in the DH formulation. units = meters
vector_fp m_Aionic;
//! Current value of the ionic strength on the molality scale Associated
//! Salts, if present in the mechanism, don't contribute to the value of the
//! ionic strength in this version of the Ionic strength.

6
src/thermo/HMWSoln.cpp
View file

@ -581,17 +581,11 @@ double HMWSoln::d2A_DebyedT2_TP(double tempArg, double presArg) const
// ---------- Other Property Functions
double HMWSoln::AionicRadius(int k) const
{
return m_Aionic[k];
}
// ------------ Private and Restricted Functions ------------------
void HMWSoln::initLengths()
{
m_speciesSize.resize(m_kk);
m_Aionic.resize(m_kk, 0.0);
m_tmpV.resize(m_kk, 0.0);
m_molalitiesCropped.resize(m_kk, 0.0);

18
src/thermo/HMWSoln_input.cpp
View file

@ -1038,24 +1038,6 @@ void HMWSoln::initThermoXML(XML_Node& phaseNode, const std::string& id_)
m_maxIionicStrength = getFloat(acNode, "maxIonicStrength");
}
// Look for parameters for the Ionic radius
if (acNode.hasChild("ionicRadius")) {
XML_Node& irNode = acNode.child("ionicRadius");
double Afactor = 1.0;
if (irNode.hasAttrib("units")) {
string Aunits = irNode.attrib("units");
Afactor = toSI(Aunits);
}
if (irNode.hasAttrib("default")) {
string ads = irNode.attrib("default");
double ad = fpValue(ads);
for (size_t k = 0; k < m_kk; k++) {
m_Aionic[k] = ad * Afactor;
}
}
}
// Loop through the children getting multiple instances of parameters
if (acNodePtr) {
for (size_t i = 0; i < acNodePtr->nChildren(); i++) {

4
test_problems/cathermo/HMW_test_1/HMW_test_1.cpp
View file

@ -42,10 +42,6 @@ int main(int argc, char** argv)
size_t nsp = HMW->nSpecies();
double a1 = HMW->AionicRadius(1);
printf("a1 = %g\n", a1);
double a2 = HMW->AionicRadius(2);
printf("a2 = %g\n", a2);
double mu0[100];
double moll[100];
string sName;

2
test_problems/cathermo/HMW_test_1/output_noD_blessed.txt
View file

@ -26,8 +26,6 @@ Index Name MoleF MolalityCropped Charge
Na+ OH- Cl- -0.00600
OH- Cl- Na+ -0.00600
OH- Na+ Cl- -0.00600
a1 = 3.04284e-10
a2 = 3.04284e-10
Name Activity ActCoeffMolal MoleFract Molality
H2O(L) 0.7546 0.9204 0.8198 55.5084
Cl- 6.0958 0.9994 0.0901 6.0997

4
test_problems/cathermo/HMW_test_3/HMW_test_3.cpp
View file

@ -41,10 +41,6 @@ int main(int argc, char** argv)
size_t nsp = HMW->nSpecies();
double a1 = HMW->AionicRadius(1);
printf("a1 = %.4f\n", a1);
double a2 = HMW->AionicRadius(2);
printf("a2 = %.4f\n", a2);
double mu0[100];
double moll[100];
string sName;

2
test_problems/cathermo/HMW_test_3/output_noD_blessed.txt
View file

@ -1,5 +1,3 @@
a1 = 0.0000
a2 = 0.0000
Temperature = 423.1500 K
Index Name MoleF MolalityCropped Charge
0 H2O(L) 8.1982292e-01 5.5508435e+01 0.0