f1b28158bf
The name 'H' can mean either the species by that name or the entahlpy of the reactor, in the case of ConstPressureReactor, and the previous behavior always returned the index of the enthalpy. This changes the behavior to preferentially return the species, and adds alternative names for reactor state variables that are less likely to generate namespace collisions: 'mass', 'volume', 'int_energy', 'enthalpy', 'temperature', 'distance', 'velocity'. The single character names are still supported. Resolves Issue 193.
134 lines
3 KiB
C++
134 lines
3 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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using namespace std;
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namespace Cantera
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{
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FlowReactor::FlowReactor() :
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Reactor(),
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m_dist(0.0),
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m_fctr(1.0e10),
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m_speed0(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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m_init = true;
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if (m_thermo == 0) {
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writelog("Error: reactor is empty.\n");
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return;
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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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m_init = true;
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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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// doublereal mass = accumulate(y+2, y+2+m_nsp, 0.0);
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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 doublereal* mw = DATA_PTR(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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