FvSysEqnDetChem< nDim >::SpeciesProperties Struct Reference

Struct for storing all relevant species information, which is read from a given mechanism file. More...

#include <fvcartesiansyseqndetchem.h>

Collaboration diagram for FvSysEqnDetChem< nDim >::SpeciesProperties:

Public Member Functions
	SpeciesProperties (const MInt noSpecies, const FvSysEqnDetChem< nDim > &sysEqn)
	Construct a new FvSysEqnDetChem<nDim>::SpeciesProperties::SpeciesProperties object. More...
	~SpeciesProperties ()
	Destroy the FvSysEqnDetChem<nDim>::SpeciesProperties::SpeciesProperties object. More...

Public Attributes
const MString	majorSpecies = "N2"
MInt	majorSpeciesIndex
const MFloat	referenceTemp = 298.0
std::map< std::string, MInt >	speciesMap
std::vector< MString >	speciesName
MFloat *	molarMass = nullptr
MFloat *	fMolarMass = nullptr
MFloat *	specificGasConstant = nullptr
MFloat *	fSpecificGasConstant = nullptr
MFloat *	standardHeatFormation = nullptr

Protected Member Functions
void	getSpeciesProperties (const MInt noSpecies, const FvSysEqnDetChem< nDim > &sysEqn)
	Gets important species information and stores it in the member variables of the species struct. More...

Detailed Description

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

Template Parameters

nDim	Number of dimensions

Definition at line 274 of file fvcartesiansyseqndetchem.h.

Constructor & Destructor Documentation

SpeciesProperties()

template<MInt nDim>

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

Template Parameters

nDim

Parameters

noSpecies
sysEqn

Definition at line 141 of file fvcartesiansyseqndetchem.cpp.

                                                                                                                   {
  mAlloc(molarMass, noSpecies, "FvSysEqnDetChem::SpeciesProperties::molarMass", AT_);
  mAlloc(fMolarMass, noSpecies, "FvSysEqnDetChem::SpeciesProperties::fMolarMass", AT_);
  mAlloc(specificGasConstant, noSpecies, "FvSysEqnDetChem::SpeciesProperties::specificGasConstant", AT_);
  mAlloc(fSpecificGasConstant, noSpecies, "FvSysEqnDetChem::SpeciesProperties::fSpecificGasConstant", AT_);
  mAlloc(standardHeatFormation, noSpecies, "FvSysEqnDetChem::SpeciesProperties::standardHeatFormation", AT_);
 
  this->getSpeciesProperties(noSpecies, sysEqn);
}

~SpeciesProperties()

template<MInt nDim>

FvSysEqnDetChem< nDim >::SpeciesProperties::~SpeciesProperties

Template Parameters

nDim

Definition at line 157 of file fvcartesiansyseqndetchem.cpp.

                                                           {
  mDeallocate(molarMass);
  mDeallocate(fMolarMass);
  mDeallocate(specificGasConstant);
  mDeallocate(fSpecificGasConstant);
  mDeallocate(standardHeatFormation);
}

Member Function Documentation

getSpeciesProperties()

template<MInt nDim>

void FvSysEqnDetChem< nDim >::SpeciesProperties::getSpeciesProperties ( const MInt  noSpecies, const FvSysEqnDetChem< nDim > &  sysEqn  )

protected

Template Parameters

nDim	Number of dimensions

Parameters

noSpecies	Number of species
sysEqn	Equation system

Definition at line 173 of file fvcartesiansyseqndetchem.cpp.

                                                                                                         {
  std::shared_ptr<Cantera::Solution> sol(
      newSolution(sysEqn.m_reactionMechanism, sysEqn.m_phaseName, sysEqn.m_transportModel));
  std::shared_ptr<Cantera::ThermoPhase> gas(sol->thermo());
 
  const MInt numberMechanismSpecies = gas->nSpecies();
 
  if(numberMechanismSpecies != noSpecies) {
    std::cerr << "noSpecies in mechanism file: " << numberMechanismSpecies
              << ". noSpecies in simulation properties file: " << noSpecies << std::endl;
    mTerm(1, AT_,
          "Number of species included in the mechanism file does not correspond to the number of species defined "
          "in the properties-file. Terminating.");
  }
 
  gas->getMolecularWeights(molarMass); // SI: [kJ/kmol]]
  speciesName = gas->speciesNames();
 
  for(MUint s = 0; s < sysEqn.PV->m_noSpecies; s++) {
    standardHeatFormation[s] = gas->Hf298SS(s);                          // SI: [J/kmol]]
    molarMass[s] /= 1000.0;                                              // SI: [kg/mol]
    fMolarMass[s] = F1 / molarMass[s];                                   // SI: [mol/kg]
    standardHeatFormation[s] /= 1000.0;                                  // SI : [J/mol]
    standardHeatFormation[s] = standardHeatFormation[s] * fMolarMass[s]; // SI : [J/kg]
    specificGasConstant[s] = sysEqn.m_gasConstant * fMolarMass[s];
    fSpecificGasConstant[s] = F1 / specificGasConstant[s];
  }
 
  auto stringIterator = std::find(speciesName.begin(), speciesName.end(), majorSpecies);
  if(stringIterator == speciesName.end()) {
    mTerm(1, AT_, "Given major species name was not found in the species name vector. Terminating.");
  } else {
    majorSpeciesIndex = std::distance(speciesName.begin(), stringIterator);
  }
 
  // Map an index position with each species name
  for(MInt s = 0; s < noSpecies; s++) {
    speciesMap.insert(std::pair<std::string, MInt>(speciesName[s], s));
  }
 
#ifndef NDEBUG
  std::cout << "Detailed chemistry species properties." << std::endl;
  for(MInt s = 0; s < numberMechanismSpecies; s++) {
    std::cout << speciesName[s] << ". Molar mass: " << molarMass[s] << ". Heat formation: " << standardHeatFormation[s]
              << ". Specific gas constant: " << specificGasConstant[s] << std::endl;
  }
#endif
}

Member Data Documentation

fMolarMass

template<MInt nDim>

MFloat * FvSysEqnDetChem< nDim >::SpeciesProperties::fMolarMass = nullptr

Definition at line 284 of file fvcartesiansyseqndetchem.h.

fSpecificGasConstant

template<MInt nDim>

MFloat * FvSysEqnDetChem< nDim >::SpeciesProperties::fSpecificGasConstant = nullptr

Definition at line 286 of file fvcartesiansyseqndetchem.h.

majorSpecies

template<MInt nDim>

const MString FvSysEqnDetChem< nDim >::SpeciesProperties::majorSpecies = "N2"

Definition at line 275 of file fvcartesiansyseqndetchem.h.

majorSpeciesIndex

template<MInt nDim>

MInt FvSysEqnDetChem< nDim >::SpeciesProperties::majorSpeciesIndex

Definition at line 276 of file fvcartesiansyseqndetchem.h.

molarMass

template<MInt nDim>

MFloat * FvSysEqnDetChem< nDim >::SpeciesProperties::molarMass = nullptr

Definition at line 283 of file fvcartesiansyseqndetchem.h.

referenceTemp

template<MInt nDim>

const MFloat FvSysEqnDetChem< nDim >::SpeciesProperties::referenceTemp = 298.0

Definition at line 278 of file fvcartesiansyseqndetchem.h.

speciesMap

template<MInt nDim>

std::map< std::string, MInt > FvSysEqnDetChem< nDim >::SpeciesProperties::speciesMap

Definition at line 280 of file fvcartesiansyseqndetchem.h.

speciesName

template<MInt nDim>

std::vector< MString > FvSysEqnDetChem< nDim >::SpeciesProperties::speciesName

Definition at line 282 of file fvcartesiansyseqndetchem.h.

specificGasConstant

template<MInt nDim>

MFloat * FvSysEqnDetChem< nDim >::SpeciesProperties::specificGasConstant = nullptr

Definition at line 285 of file fvcartesiansyseqndetchem.h.

standardHeatFormation

template<MInt nDim>

MFloat * FvSysEqnDetChem< nDim >::SpeciesProperties::standardHeatFormation = nullptr

Definition at line 287 of file fvcartesiansyseqndetchem.h.

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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