void Reactor::updateState(doublereal* y)
{
// The components of y are [0] the total mass, [1] the total volume,
// [2] the total internal energy, [3...K+3] are the mass fractions of each
// species, and [K+3...] are the coverages of surface species on each wall.
m_mass = y[0];
m_vol = y[1];
m_thermo->setMassFractions_NoNorm(y+3);
if (m_energy) {
// Use a damped Newton's method to determine the mixture temperature.
// Tight tolerances are required both for Jacobian evaluation and for
// sensitivity analysis to work correctly.
doublereal U = y[2];
doublereal T = temperature();
double dT = 100;
double dUprev = 1e10;
double dU = 1e10;
int i = 0;
double damp = 1.0;
while (abs(dT / T) > 10 * DBL_EPSILON) {
dUprev = dU;
m_thermo->setState_TR(T, m_mass / m_vol);
double dUdT = m_thermo->cv_mass() * m_mass;
dU = m_thermo->intEnergy_mass() * m_mass - U;
dT = dU / dUdT;
// Reduce the damping coefficient if the magnitude of the error
// isn't decreasing
if (std::abs(dU) < std::abs(dUprev)) {
damp = 1.0;
} else {
damp *= 0.8;
}
dT = std::min(dT, 0.5 * T) * damp;
T -= dT;
i++;
if (i > 100) {
throw CanteraError("Reactor::updateState",
"no convergence\nU/m = {}\nT = {}\nrho = {}\n",
U / m_mass, T, m_mass / m_vol);
}
}
} else {
m_thermo->setDensity(m_mass/m_vol);
}
updateSurfaceState(y + m_nsp + 3);
// save parameters needed by other connected reactors
m_enthalpy = m_thermo->enthalpy_mass();
m_pressure = m_thermo->pressure();
m_intEnergy = m_thermo->intEnergy_mass();
m_thermo->saveState(m_state);
}
void IdealGasReactor::updateState(doublereal* y)
{
// The components of y are [0] the total mass, [1] the total volume,
// [2] the temperature, [3...K+3] are the mass fractions of each species,
// and [K+3...] are the coverages of surface species on each wall.
m_mass = y[0];
m_vol = y[1];
m_thermo->setMassFractions_NoNorm(y+3);
m_thermo->setState_TR(y[2], m_mass / m_vol);
updateSurfaceState(y + m_nsp + 3);
// save parameters needed by other connected reactors
m_enthalpy = m_thermo->enthalpy_mass();
m_pressure = m_thermo->pressure();
m_intEnergy = m_thermo->intEnergy_mass();
m_thermo->saveState(m_state);
}
void ConstPressureReactor::updateState(doublereal* y)
{
// The components of y are [0] the total mass, [1] the total enthalpy,
// [2...K+2) are the mass fractions of each species, and [K+2...] are the
// coverages of surface species on each wall.
m_mass = y[0];
m_thermo->setMassFractions_NoNorm(y+2);
if (m_energy) {
m_thermo->setState_HP(y[1]/m_mass, m_pressure, 1.0e-4);
} else {
m_thermo->setPressure(m_pressure);
}
m_vol = m_mass / m_thermo->density();
updateSurfaceState(y + m_nsp + 2);
// save parameters needed by other connected reactors
m_enthalpy = m_thermo->enthalpy_mass();
m_intEnergy = m_thermo->intEnergy_mass();
m_thermo->saveState(m_state);
}
