///////////////////////////////////////////////////////////// // // zero-dimensional kinetics example program // // $Author$ // $Revision$ // $Date$ // // copyright California Institute of Technology 2002 // ///////////////////////////////////////////////////////////// // turn off warnings under Windows #ifdef WIN32 #pragma warning(disable:4786) #pragma warning(disable:4503) #endif #include #include #include #include #include "example_utils.h" using namespace Cantera; using namespace Cantera_CXX; /** * Same as kinetics_example1, except that it uses class GRI30 instead * of class IdealGasMix. */ // Note: although this simulation can be done in C++, as shown here, // it is much easier in Python or Matlab! int kinetics_example2(int job) { try { cout << "Ignition simulation using class GRI30." << 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 a GRI30 object GRI30 gas; 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 ReactorNet sim; sim.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 clock_t t0 = clock(); for (int i = 1; i <= nsteps; i++) { tm = i*dt; sim.advance(tm); saveSoln(tm, gas, soln); } clock_t t1 = clock(); // make a Tecplot data file and an Excel spreadsheet string plotTitle = "kinetics example 2: constant-pressure ignition"; plotSoln("kin2.dat", "TEC", plotTitle, gas, soln); plotSoln("kin2.csv", "XL", plotTitle, gas, soln); // print final temperature and timing data doublereal tmm = 1.0*(t1 - t0)/CLOCKS_PER_SEC; cout << " Tfinal = " << r.temperature() << endl; cout << " time = " << tmm << endl; cout << " number of residual function evaluations = " << sim.integrator().nEvals() << endl; cout << " time per evaluation = " << tmm/sim.integrator().nEvals() << endl << endl; cout << "Output files:" << endl << " kin2.csv (Excel CSV file)" << endl << " kin2.dat (Tecplot data file)" << endl; return 0; } // handle exceptions thrown by Cantera catch (CanteraError) { showErrors(cout); cout << " terminating... " << endl; appdelete(); return -1; } }