105 lines
3.2 KiB
C++
105 lines
3.2 KiB
C++
/////////////////////////////////////////////////////////////
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//
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// zero-dimensional kinetics example program
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//
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// copyright California Institute of Technology 2002
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//
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/////////////////////////////////////////////////////////////
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#include "cantera/GRI30.h"
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#include "cantera/zerodim.h"
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#include "example_utils.h"
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using namespace Cantera;
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/**
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* Same as kinetics_example1, except that it uses class GRI30 instead
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* of class IdealGasMix.
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*/
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// Note: although this simulation can be done in C++, as shown here,
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// it is much easier in Python or Matlab!
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int kinetics_example2(int job)
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{
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suppress_deprecation_warnings();
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try {
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std::cout << "Ignition simulation using class GRI30." << std::endl;
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if (job >= 1) {
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std::cout <<
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"Constant-pressure ignition of a hydrogen/oxygen/nitrogen"
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" mixture \nbeginning at T = 1001 K and P = 1 atm." << std::endl;
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}
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if (job < 2) {
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return 0;
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}
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// create a GRI30 object
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GRI30 gas;
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gas.setState_TPX(1001.0, OneAtm, "H2:2.0, O2:1.0, N2:4.0");
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size_t kk = gas.nSpecies();
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// create a reactor
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Reactor r;
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// create a reservoir to represent the environment
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Reservoir env;
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// specify the thermodynamic property and kinetics managers
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r.setThermoMgr(gas);
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r.setKineticsMgr(gas);
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env.setThermoMgr(gas);
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// create a flexible, insulating wall between the reactor and the
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// environment
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Wall w;
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w.install(r,env);
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// set the "Vdot coefficient" to a large value, in order to
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// approach the constant-pressure limit; see the documentation
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// for class Reactor
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w.setExpansionRateCoeff(1.e9);
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w.setArea(1.0);
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// create a container object to run the simulation
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// and add the reactor to it
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ReactorNet* sim_ptr = new ReactorNet();
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ReactorNet& sim = *sim_ptr;
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sim.addReactor(&r);
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double tm;
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double dt = 1.e-5; // interval at which output is written
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int nsteps = 100; // number of intervals
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// create a 2D array to hold the output variables,
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// and store the values for the initial state
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Array2D soln(kk+4, 1);
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saveSoln(0, 0.0, gas, soln);
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// main loop
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for (int i = 1; i <= nsteps; i++) {
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tm = i*dt;
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sim.advance(tm);
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saveSoln(tm, gas, soln);
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}
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// make a Tecplot data file and an Excel spreadsheet
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std::string plotTitle = "kinetics example 2: constant-pressure ignition";
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plotSoln("kin2.dat", "TEC", plotTitle, gas, soln);
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plotSoln("kin2.csv", "XL", plotTitle, gas, soln);
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// print final temperature
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std::cout << " Tfinal = " << r.temperature() << std::endl;
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std::cout << "Output files:" << std::endl
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<< " kin2.csv (Excel CSV file)" << std::endl
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<< " kin2.dat (Tecplot data file)" << std::endl;
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} catch (CanteraError& err) {
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// handle exceptions thrown by Cantera
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std::cout << err.what() << std::endl;
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std::cout << " terminating... " << std::endl;
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appdelete();
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return -1;
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}
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return 0;
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}
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