FlowReactor.cpp

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/**
*  @file FlowReactor.cpp
*
*  A zero-dimensional reactor
*/

// Copyright 2001  California Institute of Technology

#include "cantera/zeroD/FlowReactor.h"

using namespace std;

namespace Cantera
{

FlowReactor::FlowReactor() : Reactor(), m_fctr(1.0e10),
    m_speed0(0.0) {}

// overloaded method of FuncEval. Called by the integrator to
// get the initial conditions.
void FlowReactor::getInitialConditions(double t0, size_t leny, double* y)
{
    m_init = true;
    if (m_thermo == 0) {
        writelog("Error: reactor is empty.\n");
        return;
    }
    m_time = t0;
    m_thermo->restoreState(m_state);

    m_thermo->getMassFractions(y+2);

    y[0] = 0.0; // distance

    // set the second component to the initial speed
    y[1] = m_speed0;
}

/*
 *  Must be called before calling method 'advance'
 */
void FlowReactor::initialize(doublereal t0)
{
    m_thermo->restoreState(m_state);
    m_nv = m_nsp + 2;
    m_init = true;
}

void FlowReactor::updateState(doublereal* y)
{

    // Set the mass fractions and  density of the mixture.
    m_dist         = y[0];
    m_speed        = y[1];
    doublereal* mss = y + 2;
    //        doublereal mass = accumulate(y+2, y+2+m_nsp, 0.0);
    m_thermo->setMassFractions(mss);

    doublereal rho = m_rho0 * m_speed0/m_speed;

    // assumes frictionless
    doublereal pmom = m_P0 - rho*m_speed*m_speed;

    doublereal hmom;
    // assumes adiabatic
    if (m_energy) {
        hmom = m_h0 - 0.5*m_speed*m_speed;
        m_thermo->setState_HP(hmom, pmom);
    } else {
        m_thermo->setState_TP(m_T, pmom);
    }
    m_thermo->saveState(m_state);
}


/*
 * Called by the integrator to evaluate ydot given y at time 'time'.
 */
void FlowReactor::evalEqs(doublereal time, doublereal* y,
                          doublereal* ydot, doublereal* params)
{
    m_time = time;
    m_thermo->restoreState(m_state);

    double mult;
    size_t n, npar;

    // process sensitivity parameters
    if (params) {
        npar = nSensParams();
        for (n = 0; n < npar; n++) {
            mult = m_kin->multiplier(m_pnum[n]);
            m_kin->setMultiplier(m_pnum[n], mult*params[n]);
        }
    }

    // distance equation
    ydot[0] = m_speed;

    // speed equation. Set m_fctr to a large value, so that rho*u is
    // held fixed
    ydot[1] = m_fctr*(m_speed0 - m_thermo->density()*m_speed/m_rho0);

    /* species equations */
    const doublereal* mw = DATA_PTR(m_thermo->molecularWeights());

    if (m_chem) {
        m_kin->getNetProductionRates(ydot+2);   // "omega dot"
    } else {
        fill(ydot + 2, ydot + 2 + m_nsp, 0.0);
    }
    doublereal rrho = 1.0/m_thermo->density();
    for (n = 0; n < m_nsp; n++) {
        ydot[n+2] *= mw[n]*rrho;
    }

    // reset sensitivity parameters
    if (params) {
        npar = nSensParams();
        for (n = 0; n < npar; n++) {
            mult = m_kin->multiplier(m_pnum[n]);
            m_kin->setMultiplier(m_pnum[n], mult/params[n]);
        }
    }


}


size_t FlowReactor::componentIndex(string nm) const
{
    if (nm == "X") {
        return 0;
    }
    if (nm == "U") {
        return 1;
    }
    // check for a gas species name
    size_t k = m_thermo->speciesIndex(nm);
    if (k != npos) {
        return k + 2;
    } else {
        return npos;
    }
}

}