129 lines
3.9 KiB
C++
Executable file
129 lines
3.9 KiB
C++
Executable file
/////////////////////////////////////////////////////////////
|
|
//
|
|
// zero-dimensional kinetics example program
|
|
//
|
|
// copyright California Institute of Technology 2002
|
|
//
|
|
/////////////////////////////////////////////////////////////
|
|
|
|
// turn off warnings under Windows
|
|
#ifdef WIN32
|
|
#pragma warning(disable:4786)
|
|
#pragma warning(disable:4503)
|
|
#endif
|
|
|
|
#include <cantera/Cantera.h>
|
|
#include <cantera/zerodim.h>
|
|
#include <cantera/IdealGasMix.h>
|
|
#include "example_utils.h"
|
|
using namespace Cantera;
|
|
using namespace Cantera_CXX;
|
|
using namespace CanteraZeroD;
|
|
using namespace std;
|
|
|
|
// Kinetics example. This is written as a function so that one
|
|
// driver program can run multiple examples.
|
|
// The action taken depends on input parameter job:
|
|
// job = 0: print a one-line description of the example.
|
|
// job = 1: print a longer description
|
|
// job = 2: print description, then run the example.
|
|
//
|
|
|
|
// Note: although this simulation can be done in C++, as shown here,
|
|
// it is much easier in Python or Matlab!
|
|
|
|
int kinetics_example1(int job) {
|
|
|
|
try {
|
|
|
|
cout << "Ignition simulation using class IdealGasMix "
|
|
<< "with file gri30.cti."
|
|
<< endl;
|
|
|
|
if (job >= 1) {
|
|
cout << "Constant-pressure ignition of a "
|
|
<< "hydrogen/oxygen/nitrogen"
|
|
" mixture \nbeginning at T = 1001 K and P = 1 atm." << endl;
|
|
}
|
|
if (job < 2) return 0;
|
|
|
|
// header
|
|
writeCanteraHeader(cout);
|
|
|
|
// create an ideal gas mixture that corresponds to GRI-Mech
|
|
// 3.0
|
|
IdealGasMix* gg = new IdealGasMix("gri30.xml", "gri30");
|
|
IdealGasMix& gas = *gg;
|
|
|
|
// set the state
|
|
gas.setState_TPX(1001.0, OneAtm, "H2:2.0, O2:1.0, N2:4.0");
|
|
int kk = gas.nSpecies();
|
|
|
|
// create a reactor
|
|
Reactor r;
|
|
|
|
// create a reservoir to represent the environment
|
|
Reservoir env;
|
|
|
|
// specify the thermodynamic property and kinetics managers
|
|
r.setThermoMgr(gas);
|
|
r.setKineticsMgr(gas);
|
|
env.setThermoMgr(gas);
|
|
|
|
// create a flexible, insulating wall between the reactor and the
|
|
// environment
|
|
Wall w;
|
|
w.install(r,env);
|
|
|
|
// set the "Vdot coefficient" to a large value, in order to
|
|
// approach the constant-pressure limit; see the documentation
|
|
// for class Reactor
|
|
w.setExpansionRateCoeff(1.e9);
|
|
w.setArea(1.0);
|
|
|
|
// create a container object to run the simulation
|
|
// and add the reactor to it
|
|
CanteraZeroD::ReactorNet *sim_ptr = new CanteraZeroD::ReactorNet();
|
|
sim_ptr->addReactor(&r);
|
|
|
|
double tm;
|
|
double dt = 1.e-5; // interval at which output is written
|
|
int nsteps = 100; // number of intervals
|
|
|
|
// create a 2D array to hold the output variables,
|
|
// and store the values for the initial state
|
|
Array2D soln(kk+4, 1);
|
|
saveSoln(0, 0.0, gas, soln);
|
|
|
|
// main loop
|
|
for (int i = 1; i <= nsteps; i++) {
|
|
tm = i*dt;
|
|
sim_ptr->advance(tm);
|
|
saveSoln(tm, gas, soln);
|
|
}
|
|
|
|
// make a Tecplot data file and an Excel spreadsheet
|
|
string plotTitle = "kinetics example 1: constant-pressure ignition";
|
|
plotSoln("kin1.dat", "TEC", plotTitle, gas, soln);
|
|
plotSoln("kin1.csv", "XL", plotTitle, gas, soln);
|
|
|
|
// print final temperature
|
|
cout << " Tfinal = " << r.temperature() << endl;
|
|
cout << " number of residual function evaluations = "
|
|
<< sim_ptr->integrator().nEvals() << endl;
|
|
cout << "Output files:" << endl
|
|
<< " kin1.csv (Excel CSV file)" << endl
|
|
<< " kin1.dat (Tecplot data file)" << endl;
|
|
|
|
delete gg;
|
|
return 0;
|
|
}
|
|
|
|
// handle exceptions thrown by Cantera
|
|
catch (CanteraError) {
|
|
showErrors(cout);
|
|
cout << " terminating... " << endl;
|
|
appdelete();
|
|
return -1;
|
|
}
|
|
}
|