Stores all NASA coefficients. NASA coefficients are used to compute the cp and cv values. Additional, modified NASA coefficients are stored, which are used to compute the sensible energy. For now only valid for NASA-7 coefficients, which have low temperature and high temperature regions, each one described by a different polynomial. More...

#include <fvcartesiansyseqndetchem.h>

Public Member Functions
	NASACoefficients (const MInt noSpecies, const FvSysEqnDetChem< nDim > &sysEqn)
	Construct a new FvSysEqnDetChem<nDim>::NASACoefficients::NASACoefficients object. This object stores all the information about the NASA coefficients. More...

	~NASACoefficients ()
	Destroy the FvSysEqnDetChem<nDim>::NASACoefficients::NASACoefficients object. More...

Public Attributes
MFloat *	lowTemp = nullptr

MFloat *	highTemp = nullptr

MFloat *	integralLowTemp = nullptr

MFloat *	integralHighTemp = nullptr

MFloat *	lowTempIntegrationConstantsEnergy = nullptr

MFloat *	highTempIntegrationConstantsEnergy = nullptr

MFloat *	lowTempIntegrationConstantsEnthalpy = nullptr

MFloat *	highTempIntegrationConstantsEnthalpy = nullptr

Static Public Attributes
static constexpr MFloat	referenceTemp = 298.0

static constexpr MFloat	transitionTemp = 1000.0

static constexpr MInt	totalNumberCoefficientsPerSpecies = 15

static constexpr MInt	noNASACoefficients = 7

static constexpr MInt	noNASACoefficientsCpPolynomial = 5

Private Member Functions
void	getNASACoefficients (const MInt noSpecies, const FvSysEqnDetChem< nDim > &sysEqn)
	Gets the species 7-NASA Coefficients from the given mechanism file. The NASA Coefficients are then used to compute the temperature-dependant specific heat capacity The integral coefficients are the NASA COEFFICIENTS multiplied by 1/(n + 1) and are used for the integration of the heat capacities to compute the sensible energy. More...

void	computeSensibleEnergyIntegrationConstants (const FvSysEqnDetChem< nDim > &sysEqn)
	Computes the sensible energy and enthalpy integration constants to reuse later (for low and high temp regions). The constants are a result from definite integration. The low temp constant is computed with the low temp NASA polynomial and reference temperature. The high temperature constant is composed of two different terms: one arises from the integration with the low temperature NASA polynomial from reference temperature to the transition temperature. The other term is the lower bound of the definite integral at the high temeprature region. These constants appear in the computation of the sensible energy and are stored and reused to save computational time. More...

Friends
class	FvSysEqnDetChem< nDim >

Detailed Description

template<MInt nDim>
struct FvSysEqnDetChem< nDim >::NASACoefficients

Template Parameters

nDim	Number of dimensions

Definition at line 304 of file fvcartesiansyseqndetchem.h.

Constructor & Destructor Documentation

◆ NASACoefficients()

template<MInt nDim>

FvSysEqnDetChem< nDim >::NASACoefficients::NASACoefficients	(	const MInt	noSpecies,
		const FvSysEqnDetChem< nDim > &	sysEqn
	)

Template Parameters

nDim	Number of dimensions

Parameters

noSpecies	Number of species
sysEqn	Equation system

Definition at line 232 of file fvcartesiansyseqndetchem.cpp.

                                                                                                                 {
  mAlloc(lowTemp, noNASACoefficients * noSpecies, "FvSysEqnDetChem::NASACoefficients::lowTemp", AT_);
  mAlloc(highTemp, noNASACoefficients * noSpecies, "FvSysEqnDetChem::NASACoefficients::highTemp", AT_);
 
  mAlloc(integralLowTemp, noNASACoefficientsCpPolynomial * noSpecies,
         "FvSysEqnDetChem::NASACoefficients::integralLowTemp", AT_);
  mAlloc(integralHighTemp, noNASACoefficientsCpPolynomial * noSpecies,
         "FvSysEqnDetChem::NASACoefficients::integralHighTemp", AT_);
 
  mAlloc(lowTempIntegrationConstantsEnergy, noSpecies,
         "FvSysEqnDetChem::NASACoefficients::lowTempIntegrationConstantsEnergy", AT_);
  mAlloc(highTempIntegrationConstantsEnergy, noSpecies,
         "FvSysEqnDetChem::NASACoefficients::highTempIntegrationConstantsEnergy", AT_);
 
  mAlloc(lowTempIntegrationConstantsEnthalpy, noSpecies,
         "FvSysEqnDetChem::NASACoefficients::lowTempIntegrationConstantsEnthalpy", AT_);
  mAlloc(highTempIntegrationConstantsEnthalpy, noSpecies,
         "FvSysEqnDetChem::NASACoefficients::highTempIntegrationConstantsEnthalpy", AT_);
 
  this->getNASACoefficients(noSpecies, sysEqn);
  this->computeSensibleEnergyIntegrationConstants(sysEqn);
}

◆ ~NASACoefficients()

template<MInt nDim>

FvSysEqnDetChem< nDim >::NASACoefficients::~NASACoefficients

Template Parameters

nDim	Number of dimensions

Definition at line 261 of file fvcartesiansyseqndetchem.cpp.

                                                         {
  mDeallocate(lowTemp);
  mDeallocate(highTemp);
 
  mDeallocate(integralLowTemp);
  mDeallocate(integralHighTemp);
 
  mDeallocate(lowTempIntegrationConstantsEnergy);
  mDeallocate(highTempIntegrationConstantsEnergy);
 
  mDeallocate(lowTempIntegrationConstantsEnthalpy);
  mDeallocate(highTempIntegrationConstantsEnthalpy);
}

Member Function Documentation

◆ computeSensibleEnergyIntegrationConstants()

template<MInt nDim>

void FvSysEqnDetChem< nDim >::NASACoefficients::computeSensibleEnergyIntegrationConstants ( const FvSysEqnDetChem< nDim > & sysEqn )

private

Template Parameters

nDim	Number of dimensions

Parameters

sysEqn Equation system

Definition at line 385 of file fvcartesiansyseqndetchem.cpp.

                                         {
  for(MUint s = 0; s < sysEqn.PV->m_noSpecies; s++) {
    MFloat limitTRefEnergy = F0, limitLowTempRegionEnergy = F0, limitHighTempRegionEnergy = F0;
    MFloat limitTRefEnthalpy = F0, limitLowTempRegionEnthalpy = F0, limitHighTempRegionEnthalpy = F0;
 
    MFloat speciesSpecificGasConstant = sysEqn.m_species->specificGasConstant[s];
    MInt offsetIntegralCoeffs = noNASACoefficientsCpPolynomial * s;
 
    // Horner's rule for polynomials
    for(MInt i = 4; (i < 5) && (i >= 0); i--) {
      limitTRefEnergy = limitTRefEnergy * referenceTemp + integralLowTemp[offsetIntegralCoeffs + i];
      limitLowTempRegionEnergy = limitLowTempRegionEnergy * transitionTemp + integralLowTemp[offsetIntegralCoeffs + i];
      limitHighTempRegionEnergy =
          limitHighTempRegionEnergy * transitionTemp + integralHighTemp[offsetIntegralCoeffs + i];
 
      limitTRefEnthalpy = limitTRefEnthalpy * referenceTemp + integralLowTemp[offsetIntegralCoeffs + i];
      limitLowTempRegionEnthalpy =
          limitLowTempRegionEnthalpy * transitionTemp + integralLowTemp[offsetIntegralCoeffs + i];
      limitHighTempRegionEnthalpy =
          limitHighTempRegionEnthalpy * transitionTemp + integralHighTemp[offsetIntegralCoeffs + i];
    }
 
    limitTRefEnergy *= speciesSpecificGasConstant;
    limitLowTempRegionEnergy *= speciesSpecificGasConstant;
    limitHighTempRegionEnergy *= speciesSpecificGasConstant;
 
    limitTRefEnthalpy *= speciesSpecificGasConstant * referenceTemp;
    limitLowTempRegionEnthalpy *= speciesSpecificGasConstant * transitionTemp;
    limitHighTempRegionEnthalpy *= speciesSpecificGasConstant * transitionTemp;
 
    limitTRefEnergy = (limitTRefEnergy - speciesSpecificGasConstant) * referenceTemp;
    limitLowTempRegionEnergy = (limitLowTempRegionEnergy - speciesSpecificGasConstant) * transitionTemp;
    limitHighTempRegionEnergy = (limitHighTempRegionEnergy - speciesSpecificGasConstant) * transitionTemp;
 
    // Integration constants as defined are SUBSTRACTED in the corresponding equations
    lowTempIntegrationConstantsEnergy[s] = limitTRefEnergy;
    highTempIntegrationConstantsEnergy[s] = limitTRefEnergy - limitLowTempRegionEnergy + limitHighTempRegionEnergy;
 
    lowTempIntegrationConstantsEnthalpy[s] = limitTRefEnthalpy;
    highTempIntegrationConstantsEnthalpy[s] =
        limitTRefEnthalpy - limitLowTempRegionEnthalpy + limitHighTempRegionEnthalpy;
  }
}

◆ getNASACoefficients()

template<MInt nDim>

void FvSysEqnDetChem< nDim >::NASACoefficients::getNASACoefficients	(	const MInt	noSpecies,
		const FvSysEqnDetChem< nDim > &	sysEqn
	)

private

Template Parameters

nDim	Number of dimensions

Parameters

noSpecies	Number of species
sysEqn	Equation system

Definition at line 286 of file fvcartesiansyseqndetchem.cpp.

                                                                                                       {
  std::shared_ptr<Cantera::Solution> sol(
      Cantera::newSolution(sysEqn.m_reactionMechanism, sysEqn.m_phaseName, sysEqn.m_transportModel));
  std::shared_ptr<Cantera::ThermoPhase> gas(sol->thermo());
 
  MFloat* totalNASACoefficients = nullptr;
  mAlloc(totalNASACoefficients, totalNumberCoefficientsPerSpecies * noSpecies,
         "FvSysEqnDetChem::NASACoefficients::getNASACoefficients::totalNASACoefficients", AT_);
 
  MFloat* const NASACoeffs = ALIGNED_F(totalNASACoefficients);
 
  for(MUint s = 0; s < sysEqn.PV->m_noSpecies; s++) {
    MInt offset = totalNumberCoefficientsPerSpecies * s;
    MFloat* const speciesNASACoeffs = ALIGNED_F(NASACoeffs + offset);
 
    shared_ptr<Cantera::Species> species = gas->species(s);
    shared_ptr<Cantera::SpeciesThermoInterpType> thermoPhaseInf = species->thermo;
 
    // Dummy variables for Cantera function
    size_t n;
    doublereal tlow, thigh, pref;
    int type;
 
    thermoPhaseInf->reportParameters(n, type, tlow, thigh, pref, speciesNASACoeffs);
  }
  // Store the NASA coefficients for the low and high temperature regions
  for(MUint s = 0; s < sysEqn.PV->m_noSpecies; s++) {
    const MInt offset = totalNumberCoefficientsPerSpecies * s;
    const MInt offsetRegion = noNASACoefficients * s;
    for(MInt i = 0; i < totalNumberCoefficientsPerSpecies; i++) {
      if(i == 0) {
        continue;
      } else if((i > 0) && (i < (noNASACoefficients + 1))) {
        const MInt index = i - 1;
        highTemp[offsetRegion + index] = totalNASACoefficients[offset + i]; // seems OK
      } else {
        const MInt index = i - 1 - noNASACoefficients;
        lowTemp[offsetRegion + index] = totalNASACoefficients[offset + i]; // seems OK
      }
    }
  }
  // Compute and store integral coefficients
  for(MUint s = 0; s < sysEqn.PV->m_noSpecies; s++) {
    const MInt offsetRegion = noNASACoefficients * s;
    const MInt offsetIntegral = noNASACoefficientsCpPolynomial * s;
    for(MInt i = 0; i < 5; i++) {
      integralLowTemp[offsetIntegral + i] = lowTemp[offsetRegion + i] / (i + 1);
      integralHighTemp[offsetIntegral + i] = highTemp[offsetRegion + i] / (i + 1);
    }
  }
 
#ifndef NDEBUG
  for(MUint s = 0; s < sysEqn.PV->m_noSpecies; s++) {
    std::cout << sysEqn.m_species->speciesName[s] << std::endl;
 
    MInt offset = s * totalNumberCoefficientsPerSpecies;
    MInt offset2 = s * noNASACoefficients;
    MInt offset3 = s * noNASACoefficientsCpPolynomial;
 
    for(MInt i = 0; i < totalNumberCoefficientsPerSpecies; i++) {
      std::cout << totalNASACoefficients[offset + i] << " ";
    }
    std::cout << std::endl;
 
    for(MInt i = 0; i < noNASACoefficients; i++) {
      std::cout << highTemp[offset2 + i] << " ";
    }
    std::cout << std::endl;
    for(MInt i = 0; i < noNASACoefficientsCpPolynomial; i++) {
      std::cout << integralHighTemp[offset3 + i] << " ";
    }
    std::cout << std::endl;
    for(MInt i = 0; i < noNASACoefficients; i++) {
      std::cout << lowTemp[offset2 + i] << " ";
    }
    std::cout << std::endl;
    for(MInt i = 0; i < noNASACoefficientsCpPolynomial; i++) {
      std::cout << integralLowTemp[offset3 + i] << " ";
    }
    std::cout << std::endl;
  }
#endif
 
  mDeallocate(totalNASACoefficients);
}

Friends And Related Function Documentation

◆ FvSysEqnDetChem< nDim >

template<MInt nDim>

friend class FvSysEqnDetChem< nDim >

friend

Definition at line 293 of file fvcartesiansyseqndetchem.h.

Member Data Documentation

◆ highTemp

template<MInt nDim>

MFloat* FvSysEqnDetChem< nDim >::NASACoefficients::highTemp = nullptr

Definition at line 314 of file fvcartesiansyseqndetchem.h.

◆ highTempIntegrationConstantsEnergy

template<MInt nDim>

MFloat* FvSysEqnDetChem< nDim >::NASACoefficients::highTempIntegrationConstantsEnergy = nullptr

Definition at line 320 of file fvcartesiansyseqndetchem.h.

◆ highTempIntegrationConstantsEnthalpy

template<MInt nDim>

MFloat* FvSysEqnDetChem< nDim >::NASACoefficients::highTempIntegrationConstantsEnthalpy = nullptr

Definition at line 323 of file fvcartesiansyseqndetchem.h.

◆ integralHighTemp

template<MInt nDim>

MFloat* FvSysEqnDetChem< nDim >::NASACoefficients::integralHighTemp = nullptr

Definition at line 317 of file fvcartesiansyseqndetchem.h.

◆ integralLowTemp

template<MInt nDim>

MFloat* FvSysEqnDetChem< nDim >::NASACoefficients::integralLowTemp = nullptr

Definition at line 316 of file fvcartesiansyseqndetchem.h.

◆ lowTemp

template<MInt nDim>

MFloat* FvSysEqnDetChem< nDim >::NASACoefficients::lowTemp = nullptr

Definition at line 313 of file fvcartesiansyseqndetchem.h.

◆ lowTempIntegrationConstantsEnergy

template<MInt nDim>

MFloat* FvSysEqnDetChem< nDim >::NASACoefficients::lowTempIntegrationConstantsEnergy = nullptr

Definition at line 319 of file fvcartesiansyseqndetchem.h.

◆ lowTempIntegrationConstantsEnthalpy

template<MInt nDim>

MFloat* FvSysEqnDetChem< nDim >::NASACoefficients::lowTempIntegrationConstantsEnthalpy = nullptr

Definition at line 322 of file fvcartesiansyseqndetchem.h.

◆ noNASACoefficients

template<MInt nDim>

constexpr MInt FvSysEqnDetChem< nDim >::NASACoefficients::noNASACoefficients = 7

staticconstexpr

Definition at line 310 of file fvcartesiansyseqndetchem.h.

◆ noNASACoefficientsCpPolynomial

template<MInt nDim>

constexpr MInt FvSysEqnDetChem< nDim >::NASACoefficients::noNASACoefficientsCpPolynomial = 5

staticconstexpr

Definition at line 311 of file fvcartesiansyseqndetchem.h.

◆ referenceTemp

template<MInt nDim>

constexpr MFloat FvSysEqnDetChem< nDim >::NASACoefficients::referenceTemp = 298.0

staticconstexpr

Definition at line 306 of file fvcartesiansyseqndetchem.h.

◆ totalNumberCoefficientsPerSpecies

template<MInt nDim>

constexpr MInt FvSysEqnDetChem< nDim >::NASACoefficients::totalNumberCoefficientsPerSpecies = 15

staticconstexpr

Definition at line 309 of file fvcartesiansyseqndetchem.h.

◆ transitionTemp

template<MInt nDim>

constexpr MFloat FvSysEqnDetChem< nDim >::NASACoefficients::transitionTemp = 1000.0

staticconstexpr

Definition at line 307 of file fvcartesiansyseqndetchem.h.

The documentation for this struct was generated from the following files:

/home/gitlab-runner/scratch/builds/oxpnswJ6/1/aia/m-AIA/m-AIA/src/FV/fvcartesiansyseqndetchem.h
/home/gitlab-runner/scratch/builds/oxpnswJ6/1/aia/m-AIA/m-AIA/src/FV/fvcartesiansyseqndetchem.cpp

Public Member Functions

Public Attributes

Static Public Attributes

Private Member Functions

Friends

Detailed Description

Constructor & Destructor Documentation

◆ NASACoefficients()

◆ ~NASACoefficients()

Member Function Documentation

◆ computeSensibleEnergyIntegrationConstants()

◆ getNASACoefficients()

Friends And Related Function Documentation

◆ FvSysEqnDetChem< nDim >

Member Data Documentation

◆ highTemp

◆ highTempIntegrationConstantsEnergy

◆ highTempIntegrationConstantsEnthalpy

◆ integralHighTemp

◆ integralLowTemp

◆ lowTemp

◆ lowTempIntegrationConstantsEnergy

◆ lowTempIntegrationConstantsEnthalpy

◆ noNASACoefficients

◆ noNASACoefficientsCpPolynomial

◆ referenceTemp

◆ totalNumberCoefficientsPerSpecies

◆ transitionTemp