initial import

Cantera/cxx/demos/example_utils.h

@@ -0,0 +1,58 @@
+#ifndef CT_EXAMPLE_UTILS_H
+#define CT_EXAMPLE_UTILS_H
+
+#include "kernel/Array.h"
+#include "kernel/plots.h"
+
+// Save the temperature, density, pressure, and mole fractions at one
+// time
+template<class G, class A>
+void saveSoln(int i, double time, const G& gas, A& soln) {  
+    soln(0,i) = time;
+    soln(1,i) = gas.temperature();
+    soln(2,i) = gas.density();
+    soln(3,i) = gas.pressure();
+    gas.getMoleFractions(&soln(4,i));
+}
+
+template<class G, class A>
+void saveSoln(double time, const G& gas, A& soln) {  
+    soln.resize(soln.nRows(), soln.nColumns() + 1);
+    int back = soln.nColumns() - 1;
+    soln(0,back) = time;
+    soln(1,back) = gas.temperature();
+    soln(2,back) = gas.density();
+    soln(3,back) = gas.pressure();
+    int nsp = gas.nSpecies();
+    for (int k = 0; k < nsp; k++) 
+        soln(4+k,back) = gas.moleFraction(k);
+}
+
+template<class G, class V>
+void makeDataLabels(const G& gas, V& names) {
+    int nsp = gas.nSpecies();
+    names.resize(nsp + 4);
+    names[0] = "time (s)";
+    names[1]  = "Temperature (K)";
+    names[2]  = "Density (kg/m3)";
+    names[3]  = "Pressure (Pa)";
+    int k;
+    for (k = 0; k < nsp; k++) names[4+k] = gas.speciesName(k);
+}
+
+template<class G, class A>
+void plotSoln(string fname, string fmt, string title, const G& gas, const A& soln) {
+    vector<string> names;
+    makeDataLabels(gas, names);
+    writePlotFile(fname, fmt, title, names, soln);
+}
+
+inline void writeCanteraHeader(ostream& s) {
+    s << endl;
+    s << "     Cantera version " << CANTERA_VERSION << endl;         
+    s << "     Copyright California Institute of Technology, 2002." << endl;
+    s << "     http://www.cantera.org" << endl;
+    s << endl;
+}
+
+#endif

Cantera/cxx/demos/kinetics1.cpp

@@ -0,0 +1,111 @@
+/////////////////////////////////////////////////////////////
+//
+//  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 <cantera/zerodim.h>
+#include <cantera/IdealGasMix.h>
+#include <time.h>
+#include "example_utils.h"
+
+
+int main() {
+
+    try {
+
+        cout << "Constant-pressure ignition of a "
+             << "hydrogen/oxygen/nitrogen"
+            " mixture \nbeginning at T = 1001 K and P = 1 atm." << endl;
+
+        // 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 nsp = gas.nSpecies();
+
+        // create a reactor
+        Reactor r;
+
+        // create a reservoir to represent the environment
+        Reservoir env;
+
+        // specify the thermodynamic property and kinetics managers
+        r.insert(gas);
+        env.insert(gas);
+
+        // create a flexible, insulating wall between the reactor and the
+        // environment
+        Wall w;
+        w.install(r,env);
+
+        // set the "expansion rate 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 2D array to hold the output variables,
+        // and store the values for the initial state
+        Array2D soln(nsp+4, 1);
+        saveSoln(0, 0.0, gas, soln);
+
+        // main loop
+        clock_t t0 = clock();
+        for (int i = 1; i <= nsteps; i++) {
+            tm = i*dt;
+            r.advance(tm);
+            saveSoln(tm, gas, soln);
+        }
+        clock_t t1 = clock();
+
+
+        // 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 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 = " 
+             << r.integrator().nEvals() << endl;
+        cout << " time per evaluation = " << tmm/r.integrator().nEvals() 
+             << endl << 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;
+    }
+}