Ejemplo n.º 1
0
int kinetics_example2(int job) {

    try {

        std::cout << "Ignition simulation using class GRI30." << std::endl;

        if (job >= 1) {
            std::cout <<
                "Constant-pressure ignition of a hydrogen/oxygen/nitrogen"
                " mixture \nbeginning at T = 1001 K and P = 1 atm." << std::endl;
        }
        if (job < 2) return 0;

        // 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_ptr = new ReactorNet();
        ReactorNet& sim = *sim_ptr;
        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
        for (int i = 1; i <= nsteps; i++) {
            tm = i*dt;
            sim.advance(tm);
            saveSoln(tm, gas, soln);
        }

        // make a Tecplot data file and an Excel spreadsheet
        std::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
        std::cout << " Tfinal = " << r.temperature() << std::endl;
        std::cout << "Output files:" << std::endl
		  << "  kin2.csv    (Excel CSV file)" << std::endl
		  << "  kin2.dat    (Tecplot data file)" << std::endl;

        return 0;
    }

    // handle exceptions thrown by Cantera
    catch (CanteraError) {
        showErrors(std::cout);
        std::cout << " terminating... " << std::endl;
        appdelete();
        return -1;
    }
}
Ejemplo n.º 2
0
int rxnpath_example1(int job)
{
    try {

        cout << "Reaction path diagram movies with file gri30.cti." << endl;
        if (job >= 1) {
            cout << "Generate reaction path diagrams following nitrogen\n"
                 << "as a function of time for constant-pressure ignition of a\n"
                 << "hydrogen/oxygen/nitrogen"
                 " mixture \nbeginning at T = 1001 K and P = 1 atm." << endl;
        }
        if (job < 2) {
            return 0;
        }

        // create an ideal gas mixture that corresponds to GRI-Mech
        // 3.0
        IdealGasMix gas("gri30.cti", "gri30");
        gas.setState_TPX(1001.0, OneAtm, "H2:2.0, O2:1.0, N2:4.0");

        // 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);

        double tm;
        double dt = 1.e-5;    // interval at which output is written
        int nsteps = 100;     // number of intervals

        // create a container object to run the simulation
        // and add the reactor to it
        ReactorNet& sim = *(new ReactorNet());
        sim.addReactor(&r);

        // create a reaction path diagram builder
        ReactionPathBuilder b;
        std::ofstream rplog("rp1.log");   // log file
        std::ofstream rplot("rp1.dot");   // output file
        b.init(rplog, gas);         // initialize

        // main loop
        for (int i = 1; i <= nsteps; i++) {
            tm = i*dt;
            sim.advance(tm);
            writeRxnPathDiagram(tm, b, gas, rplog, rplot);
        }

        // print final temperature
        cout << "Output files:" << endl
             << "  rp1.log    (log file)" << endl
             << "  rp1.dot    (input file for dot)" << endl;
        cout << "To generate the diagrams in Postscript, execute the command" << endl << endl
             << "dot -Tps rp1.dot > rp1.ps" << endl << endl
             << "Get dot for Windows here: http://blue.caltech.edu/dot.exe" << endl;
    } catch (CanteraError& err) {
        // handle exceptions thrown by Cantera
        std::cout << err.what() << std::endl;
        cout << " terminating... " << endl;
        appdelete();
        return -1;
    }
    return 0;
}