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[Thermo] Add continuity check to NasaPoly2

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This commit is contained in:
Ray Speth 2014-10-15 02:02:58 +00:00
parent 0da3424249
commit 5166336a32
3 changed files with 60 additions and 0 deletions
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2
include/cantera/thermo/NasaPoly2.h
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@ -197,6 +197,8 @@ public:
mnp_high.modifyOneHf298(k, hnew);
}
double checkContinuity(const std::string& name="<unknown>");
protected:
//! Midrange temperature
doublereal m_midT;

1
src/thermo/GeneralSpeciesThermo.cpp
View file

@ -153,6 +153,7 @@ void GeneralSpeciesThermo::install(const std::string& name,
break;
case NASA2:
sp = new NasaPoly2(index, minTemp_, maxTemp_, refPressure_, c);
dynamic_cast<NasaPoly2*>(sp)->checkContinuity(name);
break;
case STAT:
sp = new StatMech(index, minTemp_, maxTemp_, refPressure_, c, name);

57
src/thermo/NasaPoly2.cpp Normal file
View file

@ -0,0 +1,57 @@
#include "cantera/thermo/NasaPoly2.h"
#include "cantera/base/global.h"
#include "cantera/base/stringUtils.h"
namespace Cantera {
double NasaPoly2::checkContinuity(const std::string& name)
{
size_t offset = mnp_low.speciesIndex();
double cp_low, h_low, s_low;
double cp_high, h_high, s_high;
mnp_low.updatePropertiesTemp(m_midT, &cp_low - offset,
&h_low - offset, &s_low - offset);
mnp_high.updatePropertiesTemp(m_midT, &cp_high - offset,
&h_high - offset, &s_high - offset);
double delta = cp_low - cp_high;
double maxError = std::abs(delta);
if (fabs(delta/(fabs(cp_low)+1.0E-4)) > 0.001) {
writelog("\n\n**** WARNING ****\nFor species "+name+
", discontinuity in cp/R detected at Tmid = "
+fp2str(m_midT)+"\n");
writelog("\tValue computed using low-temperature polynomial: "
+fp2str(cp_low)+".\n");
writelog("\tValue computed using high-temperature polynomial: "
+fp2str(cp_high)+".\n");
}
// enthalpy
delta = h_low - h_high;
maxError = std::max(std::abs(delta), maxError);
if (fabs(delta/(fabs(h_low)+cp_low*m_midT)) > 0.001) {
writelog("\n\n**** WARNING ****\nFor species "+name+
", discontinuity in h/RT detected at Tmid = "
+fp2str(m_midT)+"\n");
writelog("\tValue computed using low-temperature polynomial: "
+fp2str(h_low)+".\n");
writelog("\tValue computed using high-temperature polynomial: "
+fp2str(h_high)+".\n");
}
// entropy
delta = s_low - s_high;
maxError = std::max(std::abs(delta), maxError);
if (fabs(delta/(fabs(s_low)+cp_low)) > 0.001) {
writelog("\n\n**** WARNING ****\nFor species "+name+
", discontinuity in s/R detected at Tmid = "
+fp2str(m_midT)+"\n");
writelog("\tValue computed using low-temperature polynomial: "
+fp2str(s_low)+".\n");
writelog("\tValue computed using high-temperature polynomial: "
+fp2str(s_high)+".\n");
}
return maxError;
}
}