void ConstPressureReactor::evalEqs(doublereal time, doublereal* y,
doublereal* ydot, doublereal* params)
{
double dmdt = 0.0; // dm/dt (gas phase)
double* dYdt = ydot + 2;
m_thermo->restoreState(m_state);
applySensitivity(params);
evalWalls(time);
double mdot_surf = evalSurfaces(time, ydot + m_nsp + 2);
dmdt += mdot_surf;
const vector_fp& mw = m_thermo->molecularWeights();
const doublereal* Y = m_thermo->massFractions();
if (m_chem) {
m_kin->getNetProductionRates(&m_wdot[0]); // "omega dot"
}
for (size_t k = 0; k < m_nsp; k++) {
// production in gas phase and from surfaces
dYdt[k] = (m_wdot[k] * m_vol + m_sdot[k]) * mw[k] / m_mass;
// dilution by net surface mass flux
dYdt[k] -= Y[k] * mdot_surf / m_mass;
}
// external heat transfer
double dHdt = - m_Q;
// 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;
}
// 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;
if (m_energy) {
ydot[1] = dHdt;
} else {
ydot[1] = 0.0;
}
// reset sensitivity parameters
resetSensitivity(params);
}
void Reactor::evalEqs(doublereal time, doublereal* y,
doublereal* ydot, doublereal* params)
{
double dmdt = 0.0; // dm/dt (gas phase)
double* dYdt = ydot + 3;
m_thermo->restoreState(m_state);
applySensitivity(params);
evalWalls(time);
double mdot_surf = evalSurfaces(time, ydot + m_nsp + 3);
dmdt += mdot_surf; // mass added to gas phase from surface reations
// volume equation
ydot[1] = m_vdot;
const vector_fp& mw = m_thermo->molecularWeights();
const doublereal* Y = m_thermo->massFractions();
if (m_chem) {
m_kin->getNetProductionRates(&m_wdot[0]); // "omega dot"
}
for (size_t k = 0; k < m_nsp; k++) {
// production in gas phase and from surfaces
dYdt[k] = (m_wdot[k] * m_vol + m_sdot[k]) * mw[k] / m_mass;
// dilution by net surface mass flux
dYdt[k] -= Y[k] * mdot_surf / m_mass;
}
/*
* Energy equation.
* \f[
* \dot U = -P\dot V + A \dot q + \dot m_{in} h_{in}
* - \dot m_{out} h.
* \f]
*/
if (m_energy) {
ydot[2] = - m_thermo->pressure() * m_vdot - m_Q;
} else {
ydot[2] = 0.0;
}
// 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;
}
}
// 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();
}
}
ydot[0] = dmdt;
resetSensitivity(params);
}
void IdealGasReactor::evalEqs(doublereal time, doublereal* y,
doublereal* ydot, doublereal* params)
{
double dmdt = 0.0; // dm/dt (gas phase)
double mcvdTdt = 0.0; // m * c_v * dT/dt
double* dYdt = ydot + 3;
m_thermo->restoreState(m_state);
applySensitivity(params);
m_thermo->getPartialMolarIntEnergies(&m_uk[0]);
const vector_fp& mw = m_thermo->molecularWeights();
const doublereal* Y = m_thermo->massFractions();
if (m_chem) {
m_kin->getNetProductionRates(&m_wdot[0]); // "omega dot"
}
evalWalls(time);
double mdot_surf = evalSurfaces(time, ydot + m_nsp + 3);
dmdt += mdot_surf;
// compression work and external heat transfer
mcvdTdt += - m_pressure * m_vdot - m_Q;
for (size_t n = 0; n < m_nsp; n++) {
// heat release from gas phase and surface reations
mcvdTdt -= m_wdot[n] * m_uk[n] * m_vol;
mcvdTdt -= m_sdot[n] * m_uk[n];
// production in gas phase and from surfaces
dYdt[n] = (m_wdot[n] * m_vol + m_sdot[n]) * mw[n] / m_mass;
// dilution by net surface mass flux
dYdt[n] -= Y[n] * mdot_surf / m_mass;
}
// 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
}
// 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;
}
}
ydot[0] = dmdt;
ydot[1] = m_vdot;
if (m_energy) {
ydot[2] = mcvdTdt / (m_mass * m_thermo->cv_mass());
} else {
ydot[2] = 0;
}
resetSensitivity(params);
}
