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This commit is contained in:
Dave Goodwin 2004-04-24 12:53:00 +00:00
parent 76f82b2341
commit 06f94656f2
2 changed files with 51 additions and 29 deletions
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36
Cantera/src/NasaThermo.h
View file

@ -86,7 +86,7 @@ namespace Cantera {
vector_fp chigh(7);
copy(c + 8, c + 15, chigh.begin());
//checkContinuity(tmid, clow, chigh.begin());
checkContinuity(tmid, clow, chigh.begin());
m_high[igrp-1].push_back(NasaPoly1(index, tmid, thigh,
pref, chigh.begin()));
@ -191,34 +191,9 @@ namespace Cantera {
private:
/// Check the continuity of properties at the midpoint
/// temperature, and adjust the high-T coefficients to
/// make the properties exactly continuous at Tmid.
// see SpeciesThermoFactory.cpp for the definition
void checkContinuity(double tmid, const doublereal* clow,
doublereal* chigh) {
// heat capacity
doublereal cplow = poly4(tmid, clow+2);
doublereal cphigh = poly4(tmid, chigh+2);
doublereal delta = cplow - cphigh;
if (fabs(delta/cplow) > 0.001) {
writelog("WARNING: discontinuity in cp/R detected at Tmid = "
+fp2str(tmid)+"\n");
writelog(" Adjusting high-temperature coefficient to fix.\n");
}
chigh[2] += cplow - cphigh;
// enthalpy
doublereal hrtlow = enthalpy_RT(tmid, clow);
doublereal hrthigh = enthalpy_RT(tmid, chigh);
chigh[0] += tmid*(hrtlow - hrthigh);
// entropy
doublereal srlow = entropy_R(tmid, clow);
doublereal srhigh = entropy_R(tmid, chigh);
chigh[1] += srlow - srhigh;
}
doublereal* chigh);
/// for internal use by checkContinuity
doublereal enthalpy_RT(double t, const doublereal* c) {
@ -241,7 +216,10 @@ namespace Cantera {
#endif
// $Log$
// Revision 1.4 2004-04-23 19:03:22 dggoodwin
// Revision 1.5 2004-04-24 12:53:00 dggoodwin
// *** empty log message ***
//
// Revision 1.4 2004/04/23 19:03:22 dggoodwin
// *** empty log message ***
//
// Revision 1.3 2004/04/22 21:44:36 dggoodwin

44
Cantera/src/SpeciesThermoFactory.cpp
View file

@ -117,4 +117,48 @@ namespace Cantera {
}
}
/// Check the continuity of properties at the midpoint
/// temperature, and adjust the high-T coefficients to
/// make the properties exactly continuous at Tmid.
void NasaThermo::checkContinuity(double tmid, const doublereal* clow,
doublereal* chigh) {
// heat capacity
doublereal cplow = poly4(tmid, clow+2);
doublereal cphigh = poly4(tmid, chigh+2);
doublereal delta = cplow - cphigh;
if (fabs(delta/cplow) > 0.001) {
writelog("\n**** WARNING ****\nDiscontinuity in cp/R detected at Tmid = "
+fp2str(tmid)+"\n");
writelog("\tValue computed using low-temperature polynomial: "+fp2str(cplow)+".\n");
writelog("\tValue computed using high-temperature polynomial: "+fp2str(cphigh)+".\n");
}
//chigh[2] += cplow - cphigh;
// enthalpy
doublereal hrtlow = enthalpy_RT(tmid, clow);
doublereal hrthigh = enthalpy_RT(tmid, chigh);
delta = hrtlow - hrthigh;
// chigh[0] += tmid*(hrtlow - hrthigh);
if (fabs(delta/hrtlow) > 0.001) {
writelog("\n**** WARNING ****\nDiscontinuity in h/RT detected at Tmid = "
+fp2str(tmid)+"\n");
writelog("\tValue computed using low-temperature polynomial: "+fp2str(hrtlow)+".\n");
writelog("\tValue computed using high-temperature polynomial: "+fp2str(hrthigh)+".\n");
}
// entropy
doublereal srlow = entropy_R(tmid, clow);
doublereal srhigh = entropy_R(tmid, chigh);
//chigh[1] += srlow - srhigh;
delta = srlow - srhigh;
if (fabs(delta/srlow) > 0.001) {
writelog("\n**** WARNING ****\nDiscontinuity in s/R detected at Tmid = "
+fp2str(tmid)+"\n");
writelog("\tValue computed using low-temperature polynomial: "+fp2str(srlow)+".\n");
writelog("\tValue computed using high-temperature polynomial: "+fp2str(srhigh)+".\n");
}
}
}