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[Input] Parse YAML entries for NASA 9-coefficient polynomials

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This commit is contained in:
Ray Speth 2018-12-14 18:31:46 -05:00
parent 7ff6e8fac2
commit 7211f08891
2 changed files with 50 additions and 0 deletions
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25
src/thermo/SpeciesThermoFactory.cpp
View file

@ -343,6 +343,27 @@ static SpeciesThermoInterpType* newNasa9ThermoFromXML(
}
void setupNasa9Poly(Nasa9PolyMultiTempRegion& thermo, const AnyMap& node,
const UnitSystem& units)
{
setupSpeciesThermo(thermo, node, units);
vector_fp Tranges = units.convert(
node.at("temperature-ranges").asVector<AnyValue>(2, 999), "K");
const auto& data = node.at("data").asVector<vector_fp>(Tranges.size()-1);
map<double, vector_fp> regions;
for (size_t i = 0; i < data.size(); i++) {
if (data[i].size() != 9) {
throw CanteraError("setupNasa9Poly", "Wrong number of coefficients "
"for NASA9 polynomial. Expected 9, but got {}", data[i].size());
}
regions[Tranges[i]] = data[i];
}
thermo.setMinTemp(Tranges.front());
thermo.setMaxTemp(Tranges.back());
thermo.setParameters(regions);
}
SpeciesThermoInterpType* newSpeciesThermoInterpType(const XML_Node& thermo)
{
std::string model = toLowerCopy(thermo["model"]);
@ -410,6 +431,10 @@ unique_ptr<SpeciesThermoInterpType> newSpeciesThermo(
unique_ptr<ShomatePoly2> thermo(new ShomatePoly2());
setupShomatePoly(*thermo, node, units);
return unique_ptr<SpeciesThermoInterpType>(move(thermo));
} else if (model == "NASA9") {
unique_ptr<Nasa9PolyMultiTempRegion> thermo(new Nasa9PolyMultiTempRegion());
setupNasa9Poly(*thermo, node, units);
return unique_ptr<SpeciesThermoInterpType>(move(thermo));
} else {
throw CanteraError("newSpeciesThermo",
"Uknown thermo model '{}'", model);

25
test/thermo/thermoParameterizations.cpp
View file

@ -181,3 +181,28 @@ TEST(SpeciesThermo, Shomate2FromYaml1) {
EXPECT_DOUBLE_EQ(h_RT, -5.747001162488512);
EXPECT_DOUBLE_EQ(s_R, 29.878976075583324);
}
TEST(SpeciesThermo, Nasa9PolyFromYaml) {
AnyMap data = AnyMap::fromYamlString(
"model: NASA9\n"
"temperature-ranges: [200.00, 1000.00, 6000.0, 20000]\n"
"reference-pressure: 1 bar\n"
"data:\n"
"- [2.210371497E+04, -3.818461820E+02, 6.082738360E+00, -8.530914410E-03,\n"
" 1.384646189E-05, -9.625793620E-09, 2.519705809E-12, 7.108460860E+02,\n"
" -1.076003744E+01]\n"
"- [5.877124060E+05, -2.239249073E+03, 6.066949220E+00, -6.139685500E-04,\n"
" 1.491806679E-07, -1.923105485E-11, 1.061954386E-15, 1.283210415E+04,\n"
" -1.586640027E+01]\n"
"- [8.310139160E+08, -6.420733540E+05, 2.020264635E+02, -3.065092046E-02,\n"
" 2.486903333E-06, -9.705954110E-11, 1.437538881E-15, 4.938707040E+06,\n"
" -1.672099740E+03]");
UnitSystem U;
double cp_R, h_RT, s_R;
auto st = newSpeciesThermo(data, U);
EXPECT_DOUBLE_EQ(st->refPressure(), 1e5);
st->updatePropertiesTemp(2000, &cp_R, &h_RT, &s_R);
EXPECT_DOUBLE_EQ(cp_R, 4.326181187976);
EXPECT_DOUBLE_EQ(h_RT, 3.3757914517886856);
EXPECT_DOUBLE_EQ(s_R, 30.31743870437559);
}