initial import

examples/cxx/kinetics_example3.cpp

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+/////////////////////////////////////////////////////////////
+//
+//  zero-dimensional kinetics example program
+//
+//  $Author$
+//  $Revision$
+//  $Date$
+//
+//  copyright California Institute of Technology 2006
+//
+/////////////////////////////////////////////////////////////
+
+// 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 <time.h>
+#include "example_utils.h"
+
+// 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_example3(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.cti", "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
+        ConstPressureReactor 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);
+
+        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 3: constant-pressure ignition";
+        plotSoln("kin3.dat", "TEC", plotTitle, gas, soln);
+        plotSoln("kin3.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
+             << "  kin3.csv    (Excel CSV file)" << endl
+             << "  kin3.dat    (Tecplot data file)" << endl;
+
+#define DEBUG_HKM
+#ifdef DEBUG_HKM
+	delete gg;
+#endif
+        return 0;
+    }
+
+    // handle exceptions thrown by Cantera
+    catch (CanteraError) {
+        showErrors(cout);
+        cout << " terminating... " << endl;
+        appdelete();
+        return -1;
+    }
+}