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[1D] Avoid repeated search for indices of radiating species

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Also, look for both uppercase and lowercase species names
This commit is contained in:
Ray Speth 2015-01-15 21:15:20 +00:00
parent bade514587
commit af447cb85f
2 changed files with 20 additions and 25 deletions
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4
include/cantera/oneD/StFlow.h
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@ -520,6 +520,10 @@ protected:
doublereal m_epsilon_left;
doublereal m_epsilon_right;
//! Indices within the ThermoPhase of the radiating species. First index is
//! for CO2, second is for H2O.
std::vector<size_t> m_kRadiating;
// flags
std::vector<bool> m_do_energy;
bool m_do_soret;

41
src/oneD/StFlow.cpp
View file

@ -101,6 +101,13 @@ StFlow::StFlow(IdealGasPhase* ph, size_t nsp, size_t points) :
}
setupGrid(m_points, DATA_PTR(gr));
setID("stagnation flow");
// Find indices for radiating species
m_kRadiating.resize(2, npos);
size_t kr = m_thermo->speciesIndex("CO2");
m_kRadiating[0] = (kr != npos) ? kr : m_thermo->speciesIndex("co2");
kr = m_thermo->speciesIndex("H2O");
m_kRadiating[1] = (kr != npos) ? kr : m_thermo->speciesIndex("h2o");
}
void StFlow::resize(size_t ncomponents, size_t points)
@ -305,10 +312,6 @@ void StFlow::eval(size_t jg, doublereal* xg,
// variable definitions for the Planck absorption coefficient and the
// radiation calculation:
doublereal k_P_ref = 1.0*OneAtm;
size_t position_H2O = 0;
size_t position_CO2 = 0;
size_t check_H2O = 0;
size_t check_CO2 = 0;
// polynomial coefficients:
const doublereal c_H2O[6] = {-0.23093, -1.12390, 9.41530, -2.99880,
@ -320,44 +323,32 @@ void StFlow::eval(size_t jg, doublereal* xg,
double boundary_Rad_left = m_epsilon_left * StefanBoltz * pow(T(x, 0), 4);
double boundary_Rad_right = m_epsilon_right * StefanBoltz * pow(T(x, m_points - 1), 4);
// check if H2O and / or CO2 are in the mechanism and set their positions
for (size_t n_comp = 0; n_comp < m_nv; n_comp++) {
if (componentName(n_comp) == "H2O") {
position_H2O = componentIndex("H2O") - c_offset_Y;
check_H2O = 1;
} else if (componentName(n_comp) == "CO2") {
position_CO2 = componentIndex("CO2") - c_offset_Y;
check_CO2 = 1;
}
}
// loop over all grid points
for (size_t jnew = 0; jnew < m_points; jnew++) {
// helping variable for the calculation
double radiative_heat_loss = 0;
// calculation of the mean Planck absorption coefficient
double k_P_H2O = 0;
double k_P_CO2 = 0;
double k_P = 0;
// absorption coefficient for H2O
if (check_H2O == 1) {
if (m_kRadiating[1] != npos) {
double k_P_H2O = 0;
for (size_t n = 0; n <= 5; n++) {
k_P_H2O += c_H2O[n] * pow(1000 / T(x, jnew), (double) n);
}
k_P_H2O /= k_P_ref;
k_P += m_press * X(x, m_kRadiating[1], jnew) * k_P_H2O;
}
// absorption coefficient for CO2
if (check_CO2 == 1) {
if (m_kRadiating[0] != npos) {
double k_P_CO2 = 0;
for (size_t n = 0; n <= 5; n++) {
k_P_CO2 += c_CO2[n] * pow(1000 / T(x, jnew), (double) n);
}
k_P_CO2 /= k_P_ref;
k_P += m_press * X(x, m_kRadiating[0], jnew) * k_P_CO2;
}
// normalizing the coefficients
k_P_H2O /= k_P_ref;
k_P_CO2 /= k_P_ref;
// calculation of k_P
double k_P = m_press * (X(x, position_H2O, jnew) * k_P_H2O * check_H2O
+ X(x, position_CO2, jnew) * k_P_CO2 * check_CO2);
// calculation of the radiative heat loss term
radiative_heat_loss = 2 * k_P *(2 * StefanBoltz * pow(T(x, jnew), 4)
- boundary_Rad_left - boundary_Rad_right);