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[Reactor] Remove unneeded variables from ReactorBase

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This commit is contained in:
Ray Speth 2014-06-10 16:23:43 +00:00
parent 48101ea1f4
commit 6ffbaa5f77
6 changed files with 77 additions and 108 deletions
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7
include/cantera/zeroD/ReactorBase.h
View file

@ -57,7 +57,6 @@ public:
*/
void setInitialVolume(doublereal vol) {
m_vol = vol;
m_vol0 = vol;
}
/**
@ -210,10 +209,8 @@ protected:
size_t m_nsp;
thermo_t* m_thermo;
doublereal m_vol, m_vol0;
doublereal m_vol;
bool m_init;
size_t m_nInlets, m_nOutlets;
bool m_open;
doublereal m_enthalpy;
doublereal m_intEnergy;
doublereal m_pressure;
@ -221,9 +218,7 @@ protected:
std::vector<FlowDevice*> m_inlet, m_outlet;
std::vector<Wall*> m_wall;
vector_int m_lr;
size_t m_nwalls;
std::string m_name;
double m_rho0;
//! The ReactorNet that this reactor is part of
ReactorNet* m_net;

34
src/zeroD/ConstPressureReactor.cpp
View file

@ -94,27 +94,23 @@ void ConstPressureReactor::evalEqs(doublereal time, doublereal* y,
// external heat transfer
double dHdt = - m_Q;
// add terms for open system
if (m_open) {
double enthalpy = m_thermo->enthalpy_mass();
// outlets
for (size_t i = 0; i < m_nOutlets; i++) {
double mdot_out = m_outlet[i]->massFlowRate(time); // mass flow out of system
dmdt -= mdot_out;
dHdt -= mdot_out * enthalpy;
}
// add terms for outlets
for (size_t i = 0; i < m_outlet.size(); i++) {
double mdot_out = m_outlet[i]->massFlowRate(time); // mass flow out of system
dmdt -= mdot_out;
dHdt -= mdot_out * m_enthalpy;
}
// inlets
for (size_t i = 0; i < m_nInlets; i++) {
double mdot_in = m_inlet[i]->massFlowRate(time);
dmdt += mdot_in; // mass flow into system
for (size_t n = 0; n < m_nsp; n++) {
double mdot_spec = m_inlet[i]->outletSpeciesMassFlowRate(n);
// flow of species into system and dilution by other species
dYdt[n] += (mdot_spec - mdot_in * Y[n]) / m_mass;
}
dHdt += mdot_in * m_inlet[i]->enthalpy_mass();
// add terms for inlets
for (size_t i = 0; i < m_inlet.size(); i++) {
double mdot_in = m_inlet[i]->massFlowRate(time);
dmdt += mdot_in; // mass flow into system
for (size_t n = 0; n < m_nsp; n++) {
double mdot_spec = m_inlet[i]->outletSpeciesMassFlowRate(n);
// flow of species into system and dilution by other species
dYdt[n] += (mdot_spec - mdot_in * Y[n]) / m_mass;
}
dHdt += mdot_in * m_inlet[i]->enthalpy_mass();
}
ydot[0] = dmdt;

31
src/zeroD/IdealGasConstPressureReactor.cpp
View file

@ -106,24 +106,21 @@ void IdealGasConstPressureReactor::evalEqs(doublereal time, doublereal* y,
dYdt[n] -= Y[n] * mdot_surf / m_mass;
}
// add terms for open system
if (m_open) {
// outlets
for (size_t i = 0; i < m_nOutlets; i++) {
dmdt -= m_outlet[i]->massFlowRate(time); // mass flow out of system
}
// add terms for outlets
for (size_t i = 0; i < m_outlet.size(); i++) {
dmdt -= m_outlet[i]->massFlowRate(time); // mass flow out of system
}
// inlets
for (size_t i = 0; i < m_nInlets; i++) {
double mdot_in = m_inlet[i]->massFlowRate(time);
dmdt += mdot_in; // mass flow into system
mcpdTdt += m_inlet[i]->enthalpy_mass() * mdot_in;
for (size_t n = 0; n < m_nsp; n++) {
double mdot_spec = m_inlet[i]->outletSpeciesMassFlowRate(n);
// flow of species into system and dilution by other species
dYdt[n] += (mdot_spec - mdot_in * Y[n]) / m_mass;
mcpdTdt -= m_hk[n] / mw[n] * mdot_spec;
}
// add terms for inlets
for (size_t i = 0; i < m_inlet.size(); i++) {
double mdot_in = m_inlet[i]->massFlowRate(time);
dmdt += mdot_in; // mass flow into system
mcpdTdt += m_inlet[i]->enthalpy_mass() * mdot_in;
for (size_t n = 0; n < m_nsp; n++) {
double mdot_spec = m_inlet[i]->outletSpeciesMassFlowRate(n);
// flow of species into system and dilution by other species
dYdt[n] += (mdot_spec - mdot_in * Y[n]) / m_mass;
mcpdTdt -= m_hk[n] / mw[n] * mdot_spec;
}
}

39
src/zeroD/IdealGasReactor.cpp
View file

@ -115,29 +115,26 @@ void IdealGasReactor::evalEqs(doublereal time, doublereal* y,
dYdt[n] -= Y[n] * mdot_surf / m_mass;
}
// add terms for open system
if (m_open) {
// outlets
for (size_t i = 0; i < m_nOutlets; i++) {
double mdot_out = m_outlet[i]->massFlowRate(time);
dmdt -= mdot_out; // mass flow out of system
mcvdTdt -= mdot_out * m_pressure * m_vol / m_mass; // flow work
}
// add terms for outlets
for (size_t i = 0; i < m_outlet.size(); i++) {
double mdot_out = m_outlet[i]->massFlowRate(time);
dmdt -= mdot_out; // mass flow out of system
mcvdTdt -= mdot_out * m_pressure * m_vol / m_mass; // flow work
}
// inlets
for (size_t i = 0; i < m_nInlets; i++) {
double mdot_in = m_inlet[i]->massFlowRate(time);
dmdt += mdot_in; // mass flow into system
mcvdTdt += m_inlet[i]->enthalpy_mass() * mdot_in;
for (size_t n = 0; n < m_nsp; n++) {
double mdot_spec = m_inlet[i]->outletSpeciesMassFlowRate(n);
// flow of species into system and dilution by other species
dYdt[n] += (mdot_spec - mdot_in * Y[n]) / m_mass;
// add terms for inlets
for (size_t i = 0; i < m_inlet.size(); i++) {
double mdot_in = m_inlet[i]->massFlowRate(time);
dmdt += mdot_in; // mass flow into system
mcvdTdt += m_inlet[i]->enthalpy_mass() * mdot_in;
for (size_t n = 0; n < m_nsp; n++) {
double mdot_spec = m_inlet[i]->outletSpeciesMassFlowRate(n);
// flow of species into system and dilution by other species
dYdt[n] += (mdot_spec - mdot_in * Y[n]) / m_mass;
// In combintion with h_in*mdot_in, flow work plus thermal
// energy carried with the species
mcvdTdt -= m_uk[n] / mw[n] * mdot_spec;
}
// In combintion with h_in*mdot_in, flow work plus thermal
// energy carried with the species
mcvdTdt -= m_uk[n] / mw[n] * mdot_spec;
}
}

63
src/zeroD/Reactor.cpp
View file

@ -56,7 +56,7 @@ void Reactor::getInitialConditions(double t0, size_t leny, double* y)
void Reactor::getSurfaceInitialConditions(double* y)
{
size_t loc = 0;
for (size_t m = 0; m < m_nwalls; m++) {
for (size_t m = 0; m < m_wall.size(); m++) {
SurfPhase* surf = m_wall[m]->surface(m_lr[m]);
if (surf) {
m_wall[m]->getCoverages(m_lr[m], y + loc);
@ -71,7 +71,7 @@ void Reactor::initialize(doublereal t0)
m_sdot.resize(m_nsp, 0.0);
m_wdot.resize(m_nsp, 0.0);
m_nv = m_nsp + 3;
for (size_t w = 0; w < m_nwalls; w++)
for (size_t w = 0; w < m_wall.size(); w++)
if (m_wall[w]->surface(m_lr[w])) {
m_nv += m_wall[w]->surface(m_lr[w])->nSpecies();
}
@ -81,7 +81,7 @@ void Reactor::initialize(doublereal t0)
m_intEnergy = m_thermo->intEnergy_mass();
size_t nt = 0, maxnt = 0;
for (size_t m = 0; m < m_nwalls; m++) {
for (size_t m = 0; m < m_wall.size(); m++) {
m_wall[m]->initialize();
if (m_wall[m]->kinetics(m_lr[m])) {
nt = m_wall[m]->kinetics(m_lr[m])->nTotalSpecies();
@ -107,7 +107,7 @@ size_t Reactor::nSensParams()
// determine the number of sensitivity parameters
size_t m, ns;
m_nsens = m_pnum.size();
for (m = 0; m < m_nwalls; m++) {
for (m = 0; m < m_wall.size(); m++) {
ns = m_wall[m]->nSensParams(m_lr[m]);
m_nsens_wall.push_back(ns);
m_nsens += ns;
@ -179,7 +179,7 @@ void Reactor::updateState(doublereal* y)
void Reactor::updateSurfaceState(double* y)
{
size_t loc = 0;
for (size_t m = 0; m < m_nwalls; m++) {
for (size_t m = 0; m < m_wall.size(); m++) {
SurfPhase* surf = m_wall[m]->surface(m_lr[m]);
if (surf) {
m_wall[m]->setCoverages(m_lr[m], y+loc);
@ -230,31 +230,26 @@ void Reactor::evalEqs(doublereal time, doublereal* y,
ydot[2] = 0.0;
}
// add terms for open system
if (m_open) {
doublereal enthalpy = m_thermo->enthalpy_mass();
// outlets
for (size_t i = 0; i < m_nOutlets; i++) {
double mdot_out = m_outlet[i]->massFlowRate(time);
dmdt -= mdot_out; // mass flow out of system
if (m_energy) {
ydot[2] -= mdot_out * enthalpy;
}
// add terms for outlets
for (size_t i = 0; i < m_outlet.size(); i++) {
double mdot_out = m_outlet[i]->massFlowRate(time);
dmdt -= mdot_out; // mass flow out of system
if (m_energy) {
ydot[2] -= mdot_out * m_enthalpy;
}
}
// inlets
for (size_t i = 0; i < m_nInlets; i++) {
double mdot_in = m_inlet[i]->massFlowRate(time);
dmdt += mdot_in; // mass flow into system
for (size_t n = 0; n < m_nsp; n++) {
double mdot_spec = m_inlet[i]->outletSpeciesMassFlowRate(n);
// flow of species into system and dilution by other species
dYdt[n] += (mdot_spec - mdot_in * Y[n]) / m_mass;
}
if (m_energy) {
ydot[2] += mdot_in * m_inlet[i]->enthalpy_mass();
}
// add terms for inlets
for (size_t i = 0; i < m_inlet.size(); i++) {
double mdot_in = m_inlet[i]->massFlowRate(time);
dmdt += mdot_in; // mass flow into system
for (size_t n = 0; n < m_nsp; n++) {
double mdot_spec = m_inlet[i]->outletSpeciesMassFlowRate(n);
// flow of species into system and dilution by other species
dYdt[n] += (mdot_spec - mdot_in * Y[n]) / m_mass;
}
if (m_energy) {
ydot[2] += mdot_in * m_inlet[i]->enthalpy_mass();
}
}
@ -272,7 +267,7 @@ void Reactor::evalWalls(double t)
{
m_vdot = 0.0;
m_Q = 0.0;
for (size_t i = 0; i < m_nwalls; i++) {
for (size_t i = 0; i < m_wall.size(); i++) {
int lr = 1 - 2*m_lr[i];
m_vdot += lr*m_wall[i]->vdot(t);
m_Q += lr*m_wall[i]->Q(t);
@ -287,7 +282,7 @@ double Reactor::evalSurfaces(double t, double* ydot)
size_t loc = 0; // offset into ydot
double mdot_surf = 0.0; // net mass flux from surface
for (size_t i = 0; i < m_nwalls; i++) {
for (size_t i = 0; i < m_wall.size(); i++) {
Kinetics* kin = m_wall[i]->kinetics(m_lr[i]);
SurfPhase* surf = m_wall[i]->surface(m_lr[i]);
if (surf && kin) {
@ -332,7 +327,7 @@ std::vector<std::pair<void*, int> > Reactor::getSensitivityOrder() const
{
std::vector<std::pair<void*, int> > order;
order.push_back(std::make_pair(const_cast<Reactor*>(this), 0));
for (size_t n = 0; n < m_nwalls; n++) {
for (size_t n = 0; n < m_wall.size(); n++) {
if (m_nsens_wall[n]) {
order.push_back(std::make_pair(m_wall[n], m_lr[n]));
}
@ -351,7 +346,7 @@ size_t Reactor::speciesIndex(const string& nm) const
// check for a wall species
size_t walloffset = 0, kp = 0;
thermo_t* th;
for (size_t m = 0; m < m_nwalls; m++) {
for (size_t m = 0; m < m_wall.size(); m++) {
if (m_wall[m]->kinetics(m_lr[m])) {
kp = m_wall[m]->kinetics(m_lr[m])->reactionPhaseIndex();
th = &m_wall[m]->kinetics(m_lr[m])->thermo(kp);
@ -393,7 +388,7 @@ void Reactor::applySensitivity(double* params)
m_kin->setMultiplier(m_pnum[n], mult*params[n]);
}
size_t ploc = npar;
for (size_t m = 0; m < m_nwalls; m++) {
for (size_t m = 0; m < m_wall.size(); m++) {
if (m_nsens_wall[m] > 0) {
m_wall[m]->setSensitivityParameters(m_lr[m], params + ploc);
ploc += m_nsens_wall[m];
@ -413,7 +408,7 @@ void Reactor::resetSensitivity(double* params)
m_kin->setMultiplier(m_pnum[n], mult/params[n]);
}
size_t ploc = npar;
for (size_t m = 0; m < m_nwalls; m++) {
for (size_t m = 0; m < m_wall.size(); m++) {
if (m_nsens_wall[m] > 0) {
m_wall[m]->resetSensitivityParameters(m_lr[m]);
ploc += m_nsens_wall[m];

11
src/zeroD/ReactorBase.cpp
View file

@ -6,7 +6,6 @@
#include "cantera/zeroD/ReactorBase.h"
#include "cantera/zeroD/FlowDevice.h"
#include "cantera/zeroD/Wall.h"
#include "cantera/zeroD/ReactorNet.h"
using namespace std;
@ -16,15 +15,10 @@ namespace Cantera
ReactorBase::ReactorBase(const string& name) : m_nsp(0),
m_thermo(0),
m_vol(1.0),
m_vol0(1.0),
m_init(false),
m_nInlets(0),
m_nOutlets(0),
m_open(false),
m_enthalpy(0.0),
m_intEnergy(0.0),
m_pressure(0.0),
m_nwalls(0),
m_net(0)
{
m_name = name;
@ -54,15 +48,11 @@ void ReactorBase::syncState()
void ReactorBase::addInlet(FlowDevice& inlet)
{
m_inlet.push_back(&inlet);
m_open = true;
m_nInlets++;
}
void ReactorBase::addOutlet(FlowDevice& outlet)
{
m_outlet.push_back(&outlet);
m_open = true;
m_nOutlets++;
}
void ReactorBase::addWall(Wall& w, int lr)
@ -73,7 +63,6 @@ void ReactorBase::addWall(Wall& w, int lr)
} else {
m_lr.push_back(1);
}
m_nwalls++;
}
Wall& ReactorBase::wall(size_t n)