2528df0f75
These changes make it unnecessary to copy header files around during the build process, which tends to confuse IDEs and debuggers. The headers which comprise Cantera's external C++ interface are now in the 'include' directory. All of the samples and demos are now in the 'samples' subdirectory.
129 lines
3.5 KiB
C++
129 lines
3.5 KiB
C++
/////////////////////////////////////////////////////////////
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//
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// zero-dimensional kinetics example program
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//
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// copyright California Institute of Technology 2002
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//
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/////////////////////////////////////////////////////////////
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#include <cantera/Cantera.h>
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#include <cantera/zerodim.h>
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#include <cantera/IdealGasMix.h>
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#include <cantera/numerics.h>
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#include <time.h>
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#include "example_utils.h"
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int kinetics1(int np, void* p)
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{
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cout << "Constant-pressure ignition of a "
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<< "hydrogen/oxygen/nitrogen"
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" mixture \nbeginning at T = 1001 K and P = 1 atm." << endl;
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// create an ideal gas mixture that corresponds to GRI-Mech
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// 3.0
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IdealGasMix gas("gri30.cti", "gri30");
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// set the state
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gas.setState_TPX(1001.0, OneAtm, "H2:2.0, O2:1.0, N2:4.0");
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int nsp = gas.nSpecies();
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// create a reactor
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Reactor r;
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// create a reservoir to represent the environment
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Reservoir env;
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// 'insert' the gas into the reactor and environment. Note
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// that it is ok to insert the same gas object into multiple
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// reactors or reservoirs. All this means is that this object
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// will be used to evaluate thermodynamic or kinetic
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// quantities needed.
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r.insert(gas);
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env.insert(gas);
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//r.addHomogenRxnSens(0);
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// create a wall between the reactor and the environment
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Wall w;
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w.install(r,env);
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// The wall "expansion rate coefficient" controls how fast it
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// moves in response to a pressure difference. Set it to a
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// large value to approach the constant-pressure limit, so
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// that the wall moves to counteract even small pressure
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// differences
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w.setExpansionRateCoeff(1.e9);
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// set the wall to have unit area (arbitrary)
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w.setArea(1.0);
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double tm;
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double dt = 1.e-5; // interval at which output is written
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int nsteps = 100; // number of intervals
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// create a 2D array to hold the output variables,
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// and store the values for the initial state
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Array2D soln(nsp+4, 1);
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saveSoln(0, 0.0, gas, soln);
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// create a container object to run the simulation
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// and add the reactor to it
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ReactorNet sim;
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sim.addReactor(&r, false);
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// main loop
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clock_t t0 = clock(); // save start time
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for (int i = 1; i <= nsteps; i++) {
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tm = i*dt;
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sim.advance(tm);
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cout << "time = " << tm << " s" << endl;
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saveSoln(tm, gas, soln);
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}
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clock_t t1 = clock(); // save end time
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// make a Tecplot data file and an Excel spreadsheet
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string plotTitle = "kinetics example 1: constant-pressure ignition";
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plotSoln("kin1.dat", "TEC", plotTitle, gas, soln);
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plotSoln("kin1.csv", "XL", plotTitle, gas, soln);
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// print final temperature and timing data
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doublereal tmm = 1.0*(t1 - t0)/CLOCKS_PER_SEC;
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cout << " Tfinal = " << r.temperature() << endl;
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cout << " time = " << tmm << endl;
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cout << " number of residual function evaluations = "
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<< sim.integrator().nEvals() << endl;
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cout << " time per evaluation = " << tmm/sim.integrator().nEvals()
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<< endl << endl;
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cout << "Output files:" << endl
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<< " kin1.csv (Excel CSV file)" << endl
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<< " kin1.dat (Tecplot data file)" << endl;
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return 0;
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}
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#ifndef CXX_DEMO
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int main()
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{
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try {
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int retn = kinetics1(0, 0);
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appdelete();
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return retn;
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}
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// handle exceptions thrown by Cantera
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catch (CanteraError) {
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showErrors(cout);
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cout << " terminating... " << endl;
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appdelete();
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return -1;
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}
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}
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#endif
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