111 lines
2.6 KiB
C++
111 lines
2.6 KiB
C++
//! @file FlowReactor.cpp A steady-state plug flow reactor
|
|
|
|
// This file is part of Cantera. See License.txt in the top-level directory or
|
|
// at http://www.cantera.org/license.txt for license and copyright information.
|
|
|
|
#include "cantera/zeroD/FlowReactor.h"
|
|
#include "cantera/base/global.h"
|
|
|
|
using namespace std;
|
|
|
|
namespace Cantera
|
|
{
|
|
|
|
FlowReactor::FlowReactor() :
|
|
m_speed(0.0),
|
|
m_dist(0.0),
|
|
m_T(0.0),
|
|
m_fctr(1.0e10),
|
|
m_rho0(0.0),
|
|
m_speed0(0.0),
|
|
m_P0(0.0),
|
|
m_h0(0.0)
|
|
{
|
|
}
|
|
|
|
void FlowReactor::getState(double* y)
|
|
{
|
|
if (m_thermo == 0) {
|
|
throw CanteraError("getState",
|
|
"Error: reactor is empty.");
|
|
}
|
|
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;
|
|
}
|
|
|
|
void FlowReactor::initialize(doublereal t0)
|
|
{
|
|
m_thermo->restoreState(m_state);
|
|
m_nv = m_nsp + 2;
|
|
}
|
|
|
|
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;
|
|
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);
|
|
}
|
|
|
|
void FlowReactor::evalEqs(doublereal time, doublereal* y,
|
|
doublereal* ydot, doublereal* params)
|
|
{
|
|
m_thermo->restoreState(m_state);
|
|
applySensitivity(params);
|
|
|
|
// 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 vector_fp& mw = 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 (size_t n = 0; n < m_nsp; n++) {
|
|
ydot[n+2] *= mw[n]*rrho;
|
|
}
|
|
resetSensitivity(params);
|
|
}
|
|
|
|
size_t FlowReactor::componentIndex(const string& nm) const
|
|
{
|
|
// check for a gas species name
|
|
size_t k = m_thermo->speciesIndex(nm);
|
|
if (k != npos) {
|
|
return k + 2;
|
|
} else if (nm == "X" || nm == "distance") {
|
|
return 0;
|
|
} else if (nm == "U" || nm == "velocity") {
|
|
return 1;
|
|
} else {
|
|
return npos;
|
|
}
|
|
}
|
|
|
|
}
|