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;
}
}
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;
}