131 lines
4 KiB
C++
131 lines
4 KiB
C++
///////////////////////////////////////////////////////////////////////
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//
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// This demonstration program builds an object representing a
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// reacting gas mixture, and uses it to compute thermodynamic
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// properties, chemical equilibrium, and transport properties.
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//
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///////////////////////////////////////////////////////////////////////
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// Include cantera header files. They should be included in the form
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// <cantera/*.h>, and Cantera.h should always be included first.
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// These headers are designed for use in C++ programs and provide a
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// simplified interface to the Cantera kernel header files. If you
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// need to include kernel headers directly, use the format
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// <cantera/kernel/*.h>.
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#include <cantera/Cantera.h>
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#include <cantera/IdealGasMix.h> // defines class IdealGasMix
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#include <cantera/equilibrium.h> // chemical equilibrium
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#include <cantera/transport.h> // transport properties
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// All Cantera names are in namespace Cantera. You can either
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// reference everything as Cantera::<name>, or include the following
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// 'using namespace' line.
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using namespace Cantera;
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// The program is put into a function so that error handling code can
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// be conveniently put around the whole thing. See main() below.
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void demoprog() {
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printf("\n\n**** C++ Test Program ****\n\n");
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IdealGasMix gas("h2o2.cti","ohmech");
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double temp = 1200.0;
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double pres = OneAtm;
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gas.setState_TPX(temp, pres, "H2:1, O2:1, AR:2");
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// Thermodynamic properties
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printf("\n\nInitial state:\n\n");
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printf(
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"Temperature: %14.5g K\n"
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"Pressure: %14.5g Pa\n"
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"Density: %14.5g kg/m3\n"
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"Molar Enthalpy: %14.5g J/kmol\n"
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"Molar Entropy: %14.5g J/kmol-K\n"
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"Molar cp: %14.5g J/kmol-K\n",
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gas.temperature(), gas.pressure(), gas.density(),
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gas.enthalpy_mole(), gas.entropy_mole(), gas.cp_mole());
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// set the gas to the equilibrium state with the same specific
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// enthalpy and pressure
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equilibrate(gas,"HP");
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printf("\n\nEquilibrium state:\n\n");
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printf(
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"Temperature: %14.5g K\n"
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"Pressure: %14.5g Pa\n"
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"Density: %14.5g kg/m3\n"
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"Molar Enthalpy: %14.5g J/kmol\n"
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"Molar Entropy: %14.5g J/kmol-K\n"
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"Molar cp: %14.5g J/kmol-K\n",
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gas.temperature(), gas.pressure(), gas.density(),
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gas.enthalpy_mole(), gas.entropy_mole(), gas.cp_mole());
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// Reaction information
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int irxns = gas.nReactions();
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double* qf = new double[irxns];
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double* qr = new double[irxns];
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double* q = new double[irxns];
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// since the gas has been set to an equilibrium state, the forward
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// and reverse rates of progress should be equal for all
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// reversible reactions, and the net rates should be zero.
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gas.getFwdRatesOfProgress(qf);
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gas.getRevRatesOfProgress(qr);
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gas.getNetRatesOfProgress(q);
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printf("\n\n");
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for (int i = 0; i < irxns; i++) {
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printf("%30s %14.5g %14.5g %14.5g kmol/m3/s\n",
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gas.reactionString(i).c_str(), qf[i], qr[i], q[i]);
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}
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// transport properties
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// create a transport manager for the gas that computes
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// mixture-averaged properties
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Transport* tr = newTransportMgr("Mix", &gas, 1);
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// print the viscosity, thermal conductivity, and diffusion
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// coefficients
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printf("\n\nViscosity: %14.5g Pa-s\n", tr->viscosity());
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printf("Thermal conductivity: %14.5g W/m/K\n", tr->thermalConductivity());
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int nsp = gas.nSpecies();
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double* diff = new double[nsp];
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tr->getMixDiffCoeffs(diff);
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int k;
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printf("\n\n%20s %26s\n", "Species","Diffusion Coefficient");
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for (k = 0; k < nsp; k++) {
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printf("%20s %14.5g m2/s \n", gas.speciesName(k).c_str(), diff[k]);
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}
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// clean up
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delete qf;
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delete qr;
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delete q;
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delete diff;
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delete tr;
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}
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int main() {
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try {
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demoprog();
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}
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catch (CanteraError) {
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showErrors(cout);
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}
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}
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