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[Reactor/Samples] Cleanup of kinetics1.cpp

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Change this example to use IdealGasConstPressure reactor, which
is the preferred reactor model for this kind of simulation.
This commit is contained in:
Ray Speth 2014-06-06 00:17:53 +00:00
parent 51d0654e47
commit 40290736e0
1 changed files with 3 additions and 34 deletions
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37
samples/cxx/kinetics1/kinetics1.cpp
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@ -8,9 +8,6 @@
#include "cantera/zerodim.h"
#include "cantera/IdealGasMix.h"
#include "cantera/numerics.h"
#include <time.h>
#include "example_utils.h"
using namespace Cantera;
@ -19,13 +16,11 @@ using std::endl;
int kinetics1(int np, void* p)
{
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
// create an ideal gas mixture that corresponds to GRI-Mech 3.0
IdealGasMix gas("gri30.cti", "gri30");
// set the state
@ -33,10 +28,7 @@ int kinetics1(int np, void* p)
int nsp = gas.nSpecies();
// create a reactor
Reactor r;
// create a reservoir to represent the environment
Reservoir env;
IdealGasConstPressureReactor r;
// 'insert' the gas into the reactor and environment. Note
// that it is ok to insert the same gas object into multiple
@ -44,25 +36,7 @@ int kinetics1(int np, void* p)
// will be used to evaluate thermodynamic or kinetic
// quantities needed.
r.insert(gas);
env.insert(gas);
//r.addHomogenRxnSens(0);
// create a wall between the reactor and the environment
Wall w;
w.install(r,env);
// The wall "expansion rate coefficient" controls how fast it
// moves in response to a pressure difference. Set it to a
// large value to approach the constant-pressure limit, so
// that the wall moves to counteract even small pressure
// differences
w.setExpansionRateCoeff(1.e9);
// set the wall to have unit area (arbitrary)
w.setArea(1.0);
double tm;
double dt = 1.e-5; // interval at which output is written
int nsteps = 100; // number of intervals
@ -79,7 +53,7 @@ int kinetics1(int np, void* p)
// main loop
clock_t t0 = clock(); // save start time
for (int i = 1; i <= nsteps; i++) {
tm = i*dt;
double tm = i*dt;
sim.advance(tm);
cout << "time = " << tm << " s" << endl;
saveSoln(tm, gas, soln);
@ -109,11 +83,8 @@ int kinetics1(int np, void* p)
}
#ifndef CXX_DEMO
int main()
{
try {
int retn = kinetics1(0, 0);
appdelete();
@ -127,5 +98,3 @@ int main()
return -1;
}
}
#endif