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[oneD] Reorder content for named doxygen section

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Ingmar Schoegl 2024-06-22 11:31:40 +02:00 committed by Ray Speth
parent c5c3d86170
commit 37ad4e93d6
2 changed files with 135 additions and 129 deletions
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76
include/cantera/oneD/Flow1D.h
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@ -172,7 +172,6 @@ public:
//! Returns true if the specified component is an active part of the solver state
virtual bool componentActive(size_t n) const;
//! Print the solution.
void show(const double* x) override;
shared_ptr<SolutionArray> asArray(const double* soln) const override;
@ -396,6 +395,43 @@ protected:
AnyMap getMeta() const override;
void setMeta(const AnyMap& state) override;
//! @name Updates of cached properties
//! These methods are called by eval() to update cached properties and data that are
//! used for the evaluation of the governing equations.
//! @{
/**
* Update the thermodynamic properties from point j0 to point j1
* (inclusive), based on solution x.
*
* The gas state is set to be consistent with the solution at the
* points from j0 to j1.
*
* Properties that are computed and cached are:
* * #m_rho (density)
* * #m_wtm (mean molecular weight)
* * #m_cp (specific heat capacity)
* * #m_hk (species specific enthalpies)
* * #m_wdot (species production rates)
*/
void updateThermo(const double* x, size_t j0, size_t j1) {
for (size_t j = j0; j <= j1; j++) {
setGas(x,j);
m_rho[j] = m_thermo->density();
m_wtm[j] = m_thermo->meanMolecularWeight();
m_cp[j] = m_thermo->cp_mass();
m_thermo->getPartialMolarEnthalpies(&m_hk(0, j));
m_kin->getNetProductionRates(&m_wdot(0, j));
}
}
//! Update the transport properties at grid points in the range from `j0`
//! to `j1`, based on solution `x`.
virtual void updateTransport(double* x, size_t j0, size_t j1);
//! Update the diffusive mass fluxes.
virtual void updateDiffFluxes(const double* x, size_t j0, size_t j1);
//! Update the properties (thermo, transport, and diffusion flux).
//! This function is called in eval after the points which need
//! to be updated are defined.
@ -418,9 +454,11 @@ protected:
*/
void computeRadiation(double* x, size_t jmin, size_t jmax);
//! @}
//! @name Governing Equations
//! Methods are used to evaluate residuals for each of the governing equations.
//! @{
//! Methods called by eval() to calculate residuals for individual governing
//! equations.
/**
* Evaluate the continuity equation residual.
@ -572,31 +610,6 @@ protected:
virtual void evalUo(double* x, double* rsd, int* diag,
double rdt, size_t jmin, size_t jmax);
/**
* Update the thermodynamic properties from point j0 to point j1
* (inclusive), based on solution x.
*
* The gas state is set to be consistent with the solution at the
* points from j0 to j1.
*
* Properties that are computed and cached are:
* * #m_rho (density)
* * #m_wtm (mean molecular weight)
* * #m_cp (specific heat capacity)
* * #m_hk (species specific enthalpies)
* * #m_wdot (species production rates)
*/
void updateThermo(const double* x, size_t j0, size_t j1) {
for (size_t j = j0; j <= j1; j++) {
setGas(x,j);
m_rho[j] = m_thermo->density();
m_wtm[j] = m_thermo->meanMolecularWeight();
m_cp[j] = m_thermo->cp_mass();
m_thermo->getPartialMolarEnthalpies(&m_hk(0, j));
m_kin->getNetProductionRates(&m_wdot(0, j));
}
}
//! @name Solution components
//! @{
@ -691,9 +704,6 @@ protected:
return m*m_nsp*m_nsp + m_nsp*j + k;
}
//! Update the diffusive mass fluxes.
virtual void updateDiffFluxes(const double* x, size_t j0, size_t j1);
//! Get the gradient of species specific molar enthalpies
virtual void grad_hk(const double* x, size_t j);
@ -775,10 +785,6 @@ protected:
bool m_isFree;
bool m_usesLambda;
//! Update the transport properties at grid points in the range from `j0`
//! to `j1`, based on solution `x`.
virtual void updateTransport(double* x, size_t j0, size_t j1);
//! Flag for activating two-point flame control
bool m_twoPointControl = false;

188
src/oneD/Flow1D.cpp
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@ -368,6 +368,100 @@ void Flow1D::updateProperties(size_t jg, double* x, size_t jmin, size_t jmax)
updateDiffFluxes(x, j0, j1);
}
void Flow1D::updateTransport(double* x, size_t j0, size_t j1)
{
if (m_do_multicomponent) {
for (size_t j = j0; j < j1; j++) {
setGasAtMidpoint(x,j);
double wtm = m_thermo->meanMolecularWeight();
double rho = m_thermo->density();
m_visc[j] = (m_dovisc ? m_trans->viscosity() : 0.0);
m_trans->getMultiDiffCoeffs(m_nsp, &m_multidiff[mindex(0,0,j)]);
// Use m_diff as storage for the factor outside the summation
for (size_t k = 0; k < m_nsp; k++) {
m_diff[k+j*m_nsp] = m_wt[k] * rho / (wtm*wtm);
}
m_tcon[j] = m_trans->thermalConductivity();
if (m_do_soret) {
m_trans->getThermalDiffCoeffs(m_dthermal.ptrColumn(0) + j*m_nsp);
}
}
} else { // mixture averaged transport
for (size_t j = j0; j < j1; j++) {
setGasAtMidpoint(x,j);
m_visc[j] = (m_dovisc ? m_trans->viscosity() : 0.0);
if (m_fluxGradientBasis == ThermoBasis::molar) {
m_trans->getMixDiffCoeffs(&m_diff[j*m_nsp]);
} else {
m_trans->getMixDiffCoeffsMass(&m_diff[j*m_nsp]);
}
double rho = m_thermo->density();
if (m_fluxGradientBasis == ThermoBasis::molar) {
double wtm = m_thermo->meanMolecularWeight();
for (size_t k=0; k < m_nsp; k++) {
m_diff[k+j*m_nsp] *= m_wt[k] * rho / wtm;
}
} else {
for (size_t k=0; k < m_nsp; k++) {
m_diff[k+j*m_nsp] *= rho;
}
}
m_tcon[j] = m_trans->thermalConductivity();
}
}
}
void Flow1D::updateDiffFluxes(const double* x, size_t j0, size_t j1)
{
if (m_do_multicomponent) {
for (size_t j = j0; j < j1; j++) {
double dz = z(j+1) - z(j);
for (size_t k = 0; k < m_nsp; k++) {
double sum = 0.0;
for (size_t m = 0; m < m_nsp; m++) {
sum += m_wt[m] * m_multidiff[mindex(k,m,j)] * (X(x,m,j+1)-X(x,m,j));
}
m_flux(k,j) = sum * m_diff[k+j*m_nsp] / dz;
}
}
} else {
for (size_t j = j0; j < j1; j++) {
double sum = 0.0;
double dz = z(j+1) - z(j);
if (m_fluxGradientBasis == ThermoBasis::molar) {
for (size_t k = 0; k < m_nsp; k++) {
m_flux(k,j) = m_diff[k+m_nsp*j] * (X(x,k,j) - X(x,k,j+1))/dz;
sum -= m_flux(k,j);
}
} else {
for (size_t k = 0; k < m_nsp; k++) {
m_flux(k,j) = m_diff[k+m_nsp*j] * (Y(x,k,j) - Y(x,k,j+1))/dz;
sum -= m_flux(k,j);
}
}
// correction flux to insure that \sum_k Y_k V_k = 0.
for (size_t k = 0; k < m_nsp; k++) {
m_flux(k,j) += sum*Y(x,k,j);
}
}
}
if (m_do_soret) {
for (size_t m = j0; m < j1; m++) {
double gradlogT = 2.0 * (T(x,m+1) - T(x,m)) /
((T(x,m+1) + T(x,m)) * (z(m+1) - z(m)));
for (size_t k = 0; k < m_nsp; k++) {
m_flux(k,m) -= m_dthermal(k,m)*gradlogT;
}
}
}
}
void Flow1D::computeRadiation(double* x, size_t jmin, size_t jmax)
{
// Variable definitions for the Planck absorption coefficient and the
@ -683,54 +777,6 @@ void Flow1D::evalContinuity(size_t j, double* x, double* rsd, int* diag, double
"Overloaded by StFlow; to be removed after Cantera 3.1");
}
void Flow1D::updateTransport(double* x, size_t j0, size_t j1)
{
if (m_do_multicomponent) {
for (size_t j = j0; j < j1; j++) {
setGasAtMidpoint(x,j);
double wtm = m_thermo->meanMolecularWeight();
double rho = m_thermo->density();
m_visc[j] = (m_dovisc ? m_trans->viscosity() : 0.0);
m_trans->getMultiDiffCoeffs(m_nsp, &m_multidiff[mindex(0,0,j)]);
// Use m_diff as storage for the factor outside the summation
for (size_t k = 0; k < m_nsp; k++) {
m_diff[k+j*m_nsp] = m_wt[k] * rho / (wtm*wtm);
}
m_tcon[j] = m_trans->thermalConductivity();
if (m_do_soret) {
m_trans->getThermalDiffCoeffs(m_dthermal.ptrColumn(0) + j*m_nsp);
}
}
} else { // mixture averaged transport
for (size_t j = j0; j < j1; j++) {
setGasAtMidpoint(x,j);
m_visc[j] = (m_dovisc ? m_trans->viscosity() : 0.0);
if (m_fluxGradientBasis == ThermoBasis::molar) {
m_trans->getMixDiffCoeffs(&m_diff[j*m_nsp]);
} else {
m_trans->getMixDiffCoeffsMass(&m_diff[j*m_nsp]);
}
double rho = m_thermo->density();
if (m_fluxGradientBasis == ThermoBasis::molar) {
double wtm = m_thermo->meanMolecularWeight();
for (size_t k=0; k < m_nsp; k++) {
m_diff[k+j*m_nsp] *= m_wt[k] * rho / wtm;
}
} else {
for (size_t k=0; k < m_nsp; k++) {
m_diff[k+j*m_nsp] *= rho;
}
}
m_tcon[j] = m_trans->thermalConductivity();
}
}
}
void Flow1D::show(const double* x)
{
writelog(" Pressure: {:10.4g} Pa\n", m_press);
@ -748,52 +794,6 @@ void Flow1D::show(const double* x)
}
}
void Flow1D::updateDiffFluxes(const double* x, size_t j0, size_t j1)
{
if (m_do_multicomponent) {
for (size_t j = j0; j < j1; j++) {
double dz = z(j+1) - z(j);
for (size_t k = 0; k < m_nsp; k++) {
double sum = 0.0;
for (size_t m = 0; m < m_nsp; m++) {
sum += m_wt[m] * m_multidiff[mindex(k,m,j)] * (X(x,m,j+1)-X(x,m,j));
}
m_flux(k,j) = sum * m_diff[k+j*m_nsp] / dz;
}
}
} else {
for (size_t j = j0; j < j1; j++) {
double sum = 0.0;
double dz = z(j+1) - z(j);
if (m_fluxGradientBasis == ThermoBasis::molar) {
for (size_t k = 0; k < m_nsp; k++) {
m_flux(k,j) = m_diff[k+m_nsp*j] * (X(x,k,j) - X(x,k,j+1))/dz;
sum -= m_flux(k,j);
}
} else {
for (size_t k = 0; k < m_nsp; k++) {
m_flux(k,j) = m_diff[k+m_nsp*j] * (Y(x,k,j) - Y(x,k,j+1))/dz;
sum -= m_flux(k,j);
}
}
// correction flux to insure that \sum_k Y_k V_k = 0.
for (size_t k = 0; k < m_nsp; k++) {
m_flux(k,j) += sum*Y(x,k,j);
}
}
}
if (m_do_soret) {
for (size_t m = j0; m < j1; m++) {
double gradlogT = 2.0 * (T(x,m+1) - T(x,m)) /
((T(x,m+1) + T(x,m)) * (z(m+1) - z(m)));
for (size_t k = 0; k < m_nsp; k++) {
m_flux(k,m) -= m_dthermal(k,m)*gradlogT;
}
}
}
}
string Flow1D::componentName(size_t n) const
{
switch (n) {