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[Thermo] Relax warning threshold for heat capacity discontinuities

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Discontinuities in heat capacity, in contrast to enthalpy and entropy, are less
of a problem and are not always indicative of problems with a mechanism. As
such, a looser tolerance on this quantity is reasonable.

This threshold eliminates warnings from the nDodecane_Reitz.cti input file included with Cantera.
This commit is contained in:
Ray Speth 2018-08-15 17:49:44 -04:00
parent d3f49e74cb
commit a68c048bfa
2 changed files with 1 additions and 6 deletions
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5
interfaces/cython/cantera/examples/reactors/NonIdealShockTube.py
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@ -67,11 +67,6 @@ reactorPressure = 40.0*101325.0 # Pascals
# "Estimation of pure- component properties from group-contributions," Chem.
# Eng. Comm. 57 (1987) 233-243, doi: 10.1080/00986448708960487
# There is a slight discontinuity in the thermo for three species at the mid-
# point temperature. We are aware and okay, so we will suppress the warning
# statement (note: use this feature at your own risk in other codes!)
ct.suppress_thermo_warnings()
# Real gas IDT calculation

2
src/thermo/NasaPoly2.cpp
View file

@ -19,7 +19,7 @@ void NasaPoly2::validate(const std::string& name)
mnp_high.updatePropertiesTemp(m_midT, &cp_high, &h_high, &s_high);
double delta = cp_low - cp_high;
if (fabs(delta/(fabs(cp_low)+1.0E-4)) > 0.001) {
if (fabs(delta/(fabs(cp_low)+1.0E-4)) > 0.01) {
writelog("\n\n**** WARNING ****\nFor species {}, discontinuity"
" in cp/R detected at Tmid = {}\n", name, m_midT);
writelog("\tValue computed using low-temperature polynomial: {}\n", cp_low);