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print all species nasa thermo coefs and reaction type and equation

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This commit is contained in:
Yeongdo Park 2018-11-06 16:47:10 -05:00
parent a731c3ad4b
commit 5724334e1b
1 changed files with 96 additions and 1 deletions
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ct2foam.C
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@ -72,6 +72,102 @@ int main(int argc, char *argv[])
Cantera::Transport *tr_ = Cantera::newTransportMgr("Mix", &gas_);
label nCanteraSp_ = gas_.nSpecies();
int nsp = gas_.nSpecies();
int type;
doublereal c[15];
doublereal minTemp, maxTemp, refPressure;
Cantera::MultiSpeciesThermo& sp = gas_.speciesThermo();
int n, j;
// these constants define the location of coefficient "a6" in the
// cofficient array c. The c array contains Tmid in the first
// location, followed by the 7 low-temperature coefficients, then
// the seven high-temperature ones.
for (n = 0; n < nsp; n++)
{
Cantera::writelog("\n\n {} (original):", gas_.speciesName(n));
// get the NASA coefficients in array c
sp.reportParams(n, type, c, minTemp, maxTemp, refPressure);
// print the unmodified NASA coefficients
Cantera::writelog("\n ");
for (j = 1; j < 8; j++) {
Cantera::writelog(" A{} ", j);
}
Cantera::writelog("\n low:");
for (j = 1; j < 8; j++) {
Cantera::writelog(" {:10.4E} ", c[j]);
}
Cantera::writelog("\n high:");
for (j = 8; j < 15; j++) {
Cantera::writelog(" {:10.4E} ", c[j]);
}
Cantera::writelog("\n ");
// print the modified NASA coefficients
Cantera::writelog("\n\n {} (modified):", gas_.speciesName(n).c_str());
Cantera::writelog("\n ");
for (j = 1; j < 8; j++) {
Cantera::writelog(" A{} ", j);
}
Cantera::writelog("\n low:");
for (j = 1; j < 8; j++) {
Cantera::writelog(" {:10.4E} ", c[j]);
}
Cantera::writelog("\n high:");
for (j = 8; j < 15; j++) {
Cantera::writelog(" {:10.4E} ", c[j]);
}
Cantera::writelog("\n");
}
label nrxn = gas_.nReactions();
for (label k = 0; k < nrxn; k++)
{
std::shared_ptr<Cantera::Reaction> r(gas_.reaction(k));
switch (gas_.reactionType(k))
{
case Cantera::ELEMENTARY_RXN:
Info << "ELEMENTARY_RXN" << endl;
break;
case Cantera::THREE_BODY_RXN:
Info << "THREE_BODY_RXN" << endl;
break;
case Cantera::FALLOFF_RXN:
Info << "FALLOFF_RXN" << endl;
break;
case Cantera::PLOG_RXN:
Info << "PLOG_RXN" << endl;
break;
case Cantera::CHEBYSHEV_RXN:
Info << "CHEBYSHEV_RXN" << endl;
break;
case Cantera::CHEMACT_RXN:
Info << "CHEMACT_RXN" << endl;
break;
default:
break;
}
Info << gas_.reactionString(k) << endl;
}
/*
Info<< "\nCreate temperature space\n" << endl;
@ -84,7 +180,6 @@ int main(int argc, char *argv[])
}
/*
// initialize composition array
scalarField XY(nCanteraSp_, 0.0);