simple_example.cc

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#include <iostream>
#include <iomanip>
 
#include "sootHeaders.h"
 
using namespace std;
using namespace soot;
 
int main(int argc, char** argv) {
 
    //---------- set up and create a soot model
 
    nucleationModel  *nucl = new soot::nucleationModel_LL();
    growthModel      *grow = new soot::growthModel_LL();
    oxidationModel   *oxid = new soot::oxidationModel_LL();
    coagulationModel *coag = new soot::coagulationModel_FM();
 
    size_t nsoot = 2;  // 3; etc.
 
    sootModel_QMOM SM(nsoot, nucl, grow, oxid, coag);
    //sootModel_LOGN SM(nsoot, nucl, grow, oxid, coag);
 
    SM.coag->set_FM_multiplier(9.0/2.0/2.2);
 
    //---------- set up thermodynamic state variables
 
    state S = state(nsoot);
 
    double T      = 2100;    // temperature in K
    double P      = 101325;  // pressure in Pa
    double rhoGas = 0.1;     // gas density in kg/m^3
    double muGas  = 1E-5;    // gas viscosity in Pa*s
 
    vector<double> yGas{3E-4, 0.002, 0.001, 0.05, 0.003, 0.07, 0.1, 0.002};  // gas species mass fractions [H, H2, O, O2, OH, H2O, CO, C2H2]
    vector<double> yPAH{0, 0, 0, 0, 0, 0};                                   // PAH species mass fractions [C10H8, C12H8, C12H10, C14H10, C16H10, C18H10]
    vector<double> Msoot{0.003, 1.5E-5, 1E-7, 1E-10};                     // soot moment values [M0, M1, M2, M3]
 
    S.setState(T, P, rhoGas, muGas, yGas, yPAH, Msoot, nsoot);
 
    //---------- calculate source terms
 
    SM.setSourceTerms(S);
 
    //---------- output results
 
    cout << setprecision(2) << fixed;
 
    cout << endl << "T (K)  = " << setw(14) << T;
    cout << endl << "P (Pa) = " << setw(14) << P;
 
    cout << setprecision(4) << scientific;
 
    cout << endl << "M0     = " << setw(14) << Msoot[0];
    cout << endl << "M1     = " << setw(14) << Msoot[1];
    cout << endl << "M2     = " << setw(14) << Msoot[2];
    //cout << endl << "M3     = " << setw(14) << Msoot[3];
    cout << endl;
 
    cout << endl << "Soot source terms" << endl;
    cout << endl << "M0 = " << setw(14) << SM.sources.sootSources[0];
    cout << endl << "M1 = " << setw(14) << SM.sources.sootSources[1];
    cout << endl << "M2 = " << setw(14) << SM.sources.sootSources[2];
    //cout << endl << "M3 = " << setw(14) << SM.sources.sootSources[3];
    cout << endl;
 
    cout << endl << "Gas source terms" << endl;
    cout << endl << "xO2   = " << setw(14) << SM.sources.gasSources[(size_t)gasSp::O2];
    cout << endl << "xO    = " << setw(14) << SM.sources.gasSources[(size_t)gasSp::O];
    cout << endl << "xH2   = " << setw(14) << SM.sources.gasSources[(size_t)gasSp::H2];
    cout << endl << "xH    = " << setw(14) << SM.sources.gasSources[(size_t)gasSp::H];
    cout << endl << "xOH   = " << setw(14) << SM.sources.gasSources[(size_t)gasSp::OH];
    cout << endl << "xH2O  = " << setw(14) << SM.sources.gasSources[(size_t)gasSp::H2O];
    cout << endl << "xCO   = " << setw(14) << SM.sources.gasSources[(size_t)gasSp::CO];
    cout << endl << "xC2H2 = " << setw(14) << SM.sources.gasSources[(size_t)gasSp::C2H2];
    cout << endl << "xC6H6 = " << setw(14) << SM.sources.gasSources[(size_t)gasSp::C6H6];
    cout << endl;
 
    if (nucl->mechType==nucleationMech::PAH) {
        cout << endl << "PAH source terms" << endl;
        cout << endl << "xC10H8  = " << setw(14) << SM.sources.pahSources[(size_t)pahSp::C10H8];
        cout << endl << "xC12H8  = " << setw(14) << SM.sources.pahSources[(size_t)pahSp::C12H8];
        cout << endl << "xC12H10 = " << setw(14) << SM.sources.pahSources[(size_t)pahSp::C12H10];
        cout << endl << "xC14H10 = " << setw(14) << SM.sources.pahSources[(size_t)pahSp::C14H10];
        cout << endl << "xC16H10 = " << setw(14) << SM.sources.pahSources[(size_t)pahSp::C16H10];
        cout << endl << "xC18H10 = " << setw(14) << SM.sources.pahSources[(size_t)pahSp::C18H10];
        cout << endl;
    }
 
    //-----------------
 
    delete(nucl);
    delete(grow);
    delete(oxid);
    delete(coag);
 
    return 0;
}