139 lines
3.2 KiB
C++
139 lines
3.2 KiB
C++
/**
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* @file FlowReactor.cpp A steady-state plug flow reactor
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*/
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// Copyright 2001 California Institute of Technology
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#include "cantera/zeroD/FlowReactor.h"
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#include "cantera/base/global.h"
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using namespace std;
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namespace Cantera
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{
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FlowReactor::FlowReactor() :
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m_speed(0.0),
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m_dist(0.0),
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m_T(0.0),
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m_fctr(1.0e10),
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m_rho0(0.0),
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m_speed0(0.0),
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m_P0(0.0),
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m_h0(0.0)
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{
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}
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void FlowReactor::getInitialConditions(double t0, size_t leny, double* y)
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{
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warn_deprecated("FlowReactor::getInitialConditions",
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"Use getState instead. To be removed after Cantera 2.3.");
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getState(y);
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}
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void FlowReactor::getState(double* y)
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{
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if (m_thermo == 0) {
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throw CanteraError("getState",
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"Error: reactor is empty.");
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}
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m_thermo->restoreState(m_state);
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m_thermo->getMassFractions(y+2);
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y[0] = 0.0; // distance
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// set the second component to the initial speed
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y[1] = m_speed0;
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}
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void FlowReactor::initialize(doublereal t0)
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{
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m_thermo->restoreState(m_state);
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m_nv = m_nsp + 2;
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}
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void FlowReactor::updateState(doublereal* y)
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{
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// Set the mass fractions and density of the mixture.
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m_dist = y[0];
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m_speed = y[1];
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doublereal* mss = y + 2;
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m_thermo->setMassFractions(mss);
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doublereal rho = m_rho0 * m_speed0/m_speed;
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// assumes frictionless
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doublereal pmom = m_P0 - rho*m_speed*m_speed;
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doublereal hmom;
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// assumes adiabatic
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if (m_energy) {
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hmom = m_h0 - 0.5*m_speed*m_speed;
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m_thermo->setState_HP(hmom, pmom);
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} else {
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m_thermo->setState_TP(m_T, pmom);
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}
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m_thermo->saveState(m_state);
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}
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void FlowReactor::evalEqs(doublereal time, doublereal* y,
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doublereal* ydot, doublereal* params)
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{
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m_thermo->restoreState(m_state);
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double mult;
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size_t n, npar;
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// process sensitivity parameters
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if (params) {
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npar = nSensParams();
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for (n = 0; n < npar; n++) {
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mult = m_kin->multiplier(m_pnum[n]);
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m_kin->setMultiplier(m_pnum[n], mult*params[n]);
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}
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}
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// distance equation
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ydot[0] = m_speed;
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// speed equation. Set m_fctr to a large value, so that rho*u is
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// held fixed
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ydot[1] = m_fctr*(m_speed0 - m_thermo->density()*m_speed/m_rho0);
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/* species equations */
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const vector_fp& mw = m_thermo->molecularWeights();
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if (m_chem) {
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m_kin->getNetProductionRates(ydot+2); // "omega dot"
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} else {
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fill(ydot + 2, ydot + 2 + m_nsp, 0.0);
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}
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doublereal rrho = 1.0/m_thermo->density();
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for (n = 0; n < m_nsp; n++) {
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ydot[n+2] *= mw[n]*rrho;
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}
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// reset sensitivity parameters
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if (params) {
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npar = nSensParams();
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for (n = 0; n < npar; n++) {
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mult = m_kin->multiplier(m_pnum[n]);
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m_kin->setMultiplier(m_pnum[n], mult/params[n]);
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}
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}
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}
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size_t FlowReactor::componentIndex(const string& nm) const
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{
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// check for a gas species name
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size_t k = m_thermo->speciesIndex(nm);
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if (k != npos) {
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return k + 2;
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} else if (nm == "X" || nm == "distance") {
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return 0;
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} else if (nm == "U" || nm == "velocity") {
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return 1;
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} else {
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return npos;
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}
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}
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}
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