14b9454819
These headers should only include general functionality, i.e. base classes and factory methods. Users working directly with derived types can include the relevant headers directly. Deprecate some top-level headers which are not really useful.
66 lines
2.2 KiB
C++
66 lines
2.2 KiB
C++
#include "cantera/thermo.h"
|
|
#include "cantera/kinetics.h"
|
|
#include "cantera/transport.h"
|
|
|
|
using namespace Cantera;
|
|
|
|
// The actual code is put into a function that can be called from the main
|
|
// program.
|
|
void simple_demo2()
|
|
{
|
|
// Create a new phase
|
|
std::unique_ptr<ThermoPhase> gas(newPhase("gri30.cti", "gri30_mix"));
|
|
|
|
// List of phases participating in reactions (just one for homogeneous
|
|
// kinetics)
|
|
std::vector<ThermoPhase*> phases{gas.get()};
|
|
|
|
// Create the Kinetics object. Based on the phase definition used, this will
|
|
// be a GasKinetics object.
|
|
std::unique_ptr<Kinetics> kin(newKineticsMgr(gas->xml(), phases));
|
|
|
|
// Set an "interesting" mixture state where we will observe non-zero reacton
|
|
// rates.
|
|
gas->setState_TPX(500.0, 2.0*OneAtm, "CH4:1.0, O2:1.0, N2:3.76");
|
|
gas->equilibrate("HP");
|
|
gas->setState_TP(gas->temperature() - 100, gas->pressure());
|
|
|
|
// Get the net reaction rates
|
|
vector_fp wdot(kin->nReactions());
|
|
kin->getNetRatesOfProgress(wdot.data());
|
|
|
|
writelog("Net reaction rates for reactions involving CO2\n");
|
|
size_t kCO2 = gas->speciesIndex("CO2");
|
|
for (size_t i = 0; i < kin->nReactions(); i++) {
|
|
if (kin->reactantStoichCoeff(kCO2, i)
|
|
|| kin->productStoichCoeff(kCO2, i)) {
|
|
writelog("{:3d} {:30s} {: .8e}\n",
|
|
i, kin->reactionString(i), wdot[i]);
|
|
}
|
|
}
|
|
writelog("\n");
|
|
|
|
// Create a Transport object. Based on the transport model specified in the
|
|
// "gri30_mix" phase, this will be a MixGasTransport object.
|
|
std::unique_ptr<Transport> trans(newDefaultTransportMgr(gas.get()));
|
|
writelog("T viscosity thermal conductivity\n");
|
|
writelog("------ ----------- --------------------\n");
|
|
for (size_t n = 0; n < 5; n++) {
|
|
double T = 300 + 100 * n;
|
|
gas->setState_TP(T, gas->pressure());
|
|
writelog("{:.1f} {:.4e} {:.4e}\n",
|
|
T, trans->viscosity(), trans->thermalConductivity());
|
|
}
|
|
}
|
|
|
|
// the main program just calls function simple_demo2 within a 'try' block, and
|
|
// catches exceptions that might be thrown
|
|
int main()
|
|
{
|
|
try {
|
|
simple_demo2();
|
|
} catch (std::exception& err) {
|
|
std::cout << err.what() << std::endl;
|
|
}
|
|
}
|
|
|