Pyrolysis chemistry model. It includes gas phase in the solid reaction. More...

#include <pyrolysisChemistryModel.H>

Inheritance diagram for pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >:

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Collaboration diagram for pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >:

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Public Member Functions
	TypeName ("pyrolysis")
	Runtime type information.
	pyrolysisChemistryModel (typename CompType::reactionThermo &thermo)
	Construct from thermo.
virtual	~pyrolysisChemistryModel ()
	Destructor.
const PtrList< GasThermo > &	gasThermo () const
	Thermodynamic data of gases.
const speciesTable &	gasTable () const
	Gases table.
label	nSpecie () const
	The number of solids.
label	nGases () const
	The number of solids.
virtual scalarField	omega (const scalarField &c, const scalar T, const scalar p, const bool updateC0=false) const
	dc/dt = omega, rate of change in concentration, for each species
virtual scalar	omega (const Reaction< SolidThermo > &r, const scalarField &c, const scalar T, const scalar p, scalar &pf, scalar &cf, label &lRef, scalar &pr, scalar &cr, label &rRef) const
	Return the reaction rate for reaction r.
virtual scalar	omegaI (label iReaction, const scalarField &c, const scalar T, const scalar p, scalar &pf, scalar &cf, label &lRef, scalar &pr, scalar &cr, label &rRef) const
	Return the reaction rate for iReaction.
virtual void	calculate ()
	Calculates the reaction rates.
const volScalarField::Internal &	RRg (const label i) const
	Return const access to the chemical source terms for gases.
tmp< volScalarField::Internal >	RRg () const
	Return total gas source term.
virtual tmp< volScalarField >	gasHs (const volScalarField &p, const volScalarField &T, const label i) const
	Return sensible enthalpy for gas i [J/Kg].
virtual scalar	solve (const scalar deltaT)
	Solve the reaction system for the given time step.
virtual label	nEqns () const
	Number of ODE's to solve.
virtual void	derivatives (const scalar t, const scalarField &c, scalarField &dcdt) const
	Calculate the derivatives in dydx.
virtual void	jacobian (const scalar t, const scalarField &c, scalarField &dcdt, scalarSquareMatrix &dfdc) const
	Calculate the Jacobian of the system.
virtual void	solve (scalarField &c, scalar &T, scalar &p, scalar &deltaT, scalar &subDeltaT) const
Public Member Functions inherited from solidChemistryModel< CompType, SolidThermo >
	TypeName ("solidChemistryModel")
	Runtime type information.
	solidChemistryModel (typename CompType::reactionThermo &thermo)
	Construct from thermo.
virtual	~solidChemistryModel ()
	Destructor.
const PtrList< Reaction< SolidThermo > > &	reactions () const
	The reactions.
label	nReaction () const
	The number of reactions.
const volScalarField::Internal &	RRs (const label i) const
	Return const access to the chemical source terms for solids.
tmp< volScalarField::Internal >	RRs () const
	Return total solid source term.
tmp< DimensionedField< scalar, volMesh > >	RRsHs () const
	Return net solid sensible enthalpy.
virtual scalar	solve (const scalarField &deltaT)
	Solve the reaction system for the given time step.
virtual tmp< volScalarField >	tc () const
	Return the chemical time scale.
virtual tmp< volScalarField >	Qdot () const
	Return the heat release rate [kg/m/s3].
Public Member Functions inherited from ODESystem
	ODESystem ()
	Construct null.
virtual	~ODESystem ()=default
	Destructor.

Protected Member Functions
PtrList< volScalarField::Internal > &	RRg ()
	Write access to source terms for gases.
void	operator= (const pyrolysisChemistryModel &)=delete
	No copy assignment.
Protected Member Functions inherited from solidChemistryModel< CompType, SolidThermo >
PtrList< volScalarField::Internal > &	RRs ()
	Write access to source terms for solids.
void	setCellReacting (const label celli, const bool active)
	Set reacting status of cell, celli.

Protected Attributes
speciesTable	pyrolisisGases_
	List of gas species present in reaction system.
PtrList< GasThermo >	gasThermo_
	Thermodynamic data of gases.
label	nGases_
	Number of gas species.
label	nSpecie_
	Number of components being solved by ODE.
PtrList< volScalarField::Internal >	RRg_
	List of reaction rate per gas [kg/m3/s].
PtrList< volScalarField >	Ys0_
	List of accumulative solid concentrations.
Protected Attributes inherited from solidChemistryModel< CompType, SolidThermo >
PtrList< volScalarField > &	Ys_
	Reference to solid mass fractions.
const PtrList< Reaction< SolidThermo > > &	reactions_
	Reactions.
const PtrList< SolidThermo > &	solidThermo_
	Thermodynamic data of solids.
label	nSolids_
	Number of solid components.
label	nReaction_
	Number of solid reactions.
PtrList< volScalarField::Internal >	RRs_
	List of reaction rate per solid [kg/m3/s].
List< bool >	reactingCells_
	List of active reacting cells.

Detailed Description

template<class CompType, class SolidThermo, class GasThermo>
class Foam::pyrolysisChemistryModel< CompType, SolidThermo, GasThermo >

Pyrolysis chemistry model. It includes gas phase in the solid reaction.

Source files

Definition at line 54 of file pyrolysisChemistryModel.H.

Constructor & Destructor Documentation

◆ pyrolysisChemistryModel()

template<class CompType, class SolidThermo, class GasThermo>

pyrolysisChemistryModel ( typename CompType::reactionThermo & thermo )

Construct from thermo.

Definition at line 29 of file pyrolysisChemistryModel.C.

References IOobjectOption::AUTO_WRITE, basicThermo::dictName, Foam::dimMass, Foam::dimTime, Foam::dimVolume, forAll, gasThermo_, Foam::indent(), Foam::Info, Foam::max(), mesh, IOobjectOption::MUST_READ, name, nGases_, Foam::nl, IOobjectOption::NO_READ, IOobjectOption::NO_WRITE, solidChemistryModel< CompType, SolidThermo >::nSolids_, nSpecie_, pyrolisisGases_, solidChemistryModel< CompType, SolidThermo >::reactions_, solidThermo::rho(), RRg_, solidChemistryModel< CompType, SolidThermo >::RRs_, thermoDict, timeName, IOobject::typeHeaderOk(), Ys0_, solidChemistryModel< CompType, SolidThermo >::Ys_, and Foam::Zero.

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◆ ~pyrolysisChemistryModel()

template<class CompType, class SolidThermo, class GasThermo>

~pyrolysisChemistryModel ( )

virtual

Destructor.

Definition at line 166 of file pyrolysisChemistryModel.C.

Member Function Documentation

◆ RRg() [1/3]

template<class CompType, class SolidThermo, class GasThermo>

Foam::PtrList< Foam::DimensionedField< Foam::scalar, Foam::volMesh > > & RRg ( )

inlineprotected

Write access to source terms for gases.

Definition at line 29 of file pyrolysisChemistryModelI.H.

References RRg_.

Referenced by RRg().

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◆ operator=()

template<class CompType, class SolidThermo, class GasThermo>

void operator= ( const pyrolysisChemistryModel< CompType, SolidThermo, GasThermo > & )

protecteddelete

No copy assignment.

◆ TypeName()

template<class CompType, class SolidThermo, class GasThermo>

TypeName ( "pyrolysis" )

Runtime type information.

◆ gasThermo()

template<class CompType, class SolidThermo, class GasThermo>

const Foam::PtrList< GasThermo > & gasThermo ( ) const

inline

Thermodynamic data of gases.

Definition at line 37 of file pyrolysisChemistryModelI.H.

References gasThermo_.

◆ gasTable()

template<class CompType, class SolidThermo, class GasThermo>

const Foam::speciesTable & gasTable ( ) const

inline

Gases table.

Definition at line 46 of file pyrolysisChemistryModelI.H.

References pyrolisisGases_.

◆ nSpecie()

template<class CompType, class SolidThermo, class GasThermo>

Foam::label nSpecie ( ) const

inline

The number of solids.

Definition at line 55 of file pyrolysisChemistryModelI.H.

References nSpecie_.

◆ nGases()

template<class CompType, class SolidThermo, class GasThermo>

label nGases ( ) const

inline

The number of solids.

◆ omega() [1/2]

template<class CompType, class SolidThermo, class GasThermo>

Foam::scalarField omega	(	const scalarField &	c,
		const scalar	T,
		const scalar	p,
		const bool	updateC0 = false ) const

virtual

dc/dt = omega, rate of change in concentration, for each species

Implements solidChemistryModel< CompType, SolidThermo >.

Definition at line 175 of file pyrolysisChemistryModel.C.

References forAll, g, nEqns(), solidChemistryModel< CompType, SolidThermo >::nSolids_, om, omega(), p, R, solidChemistryModel< CompType, SolidThermo >::reactions_, s(), solidChemistryModel< CompType, SolidThermo >::solidThermo_, Foam::T(), Ys0_, and Foam::Zero.

Referenced by calculate(), derivatives(), jacobian(), omega(), omegaI(), and solve().

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◆ omega() [2/2]

template<class CompType, class SolidThermo, class GasThermo>

Foam::scalar omega	(	const Reaction< SolidThermo > &	r,
		const scalarField &	c,
		const scalar	T,
		const scalar	p,
		scalar &	pf,
		scalar &	cf,
		label &	lRef,
		scalar &	pr,
		scalar &	cr,
		label &	rRef ) const

virtual

Return the reaction rate for reaction r.

NOTE: Currently does not calculate reference specie and characteristic times (pf, cf,l Ref, etc.)

Implements solidChemistryModel< CompType, SolidThermo >.

Definition at line 231 of file pyrolysisChemistryModel.C.

References Foam::exp(), Foam::max(), nSpecie_, p, Foam::pow(), R, s(), Foam::T(), Ys0_, and Foam::Zero.

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◆ omegaI()

template<class CompType, class SolidThermo, class GasThermo>

Foam::scalar omegaI	(	label	iReaction,
		const scalarField &	c,
		const scalar	T,
		const scalar	p,
		scalar &	pf,
		scalar &	cf,
		label &	lRef,
		scalar &	pr,
		scalar &	cr,
		label &	rRef ) const

virtual

Return the reaction rate for iReaction.

NOTE: Currently does not calculate reference specie and characteristic times (pf, cf,l Ref, etc.)

Implements solidChemistryModel< CompType, SolidThermo >.

Definition at line 273 of file pyrolysisChemistryModel.C.

References omega(), p, R, solidChemistryModel< CompType, SolidThermo >::reactions_, and Foam::T().

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◆ calculate()

template<class CompType, class SolidThermo, class GasThermo>

void calculate ( )

virtual

Calculates the reaction rates.

Implements solidChemistryModel< CompType, SolidThermo >.

Definition at line 444 of file pyrolysisChemistryModel.C.

References delta, forAll, mesh, IOobjectOption::NO_READ, IOobjectOption::NO_REGISTER, IOobjectOption::NO_WRITE, solidChemistryModel< CompType, SolidThermo >::nSolids_, nSpecie_, omega(), basicThermo::p(), pi(), solidChemistryModel< CompType, SolidThermo >::reactingCells_, rho, RRg_, solidChemistryModel< CompType, SolidThermo >::RRs_, basicThermo::T(), timeName, fvMesh::V(), solidChemistryModel< CompType, SolidThermo >::Ys_, and Foam::Zero.

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◆ RRg() [2/3]

template<class CompType, class SolidThermo, class GasThermo>

const Foam::DimensionedField< Foam::scalar, Foam::volMesh > & RRg ( const label i ) const

inline

Return const access to the chemical source terms for gases.

Definition at line 64 of file pyrolysisChemistryModelI.H.

References RRg_.

◆ RRg() [3/3]

template<class CompType, class SolidThermo, class GasThermo>

Foam::tmp< Foam::DimensionedField< Foam::scalar, Foam::volMesh > > RRg ( ) const

inline

Return total gas source term.

Definition at line 75 of file pyrolysisChemistryModelI.H.

References Foam::dimMass, Foam::dimTime, Foam::dimVolume, mesh, DimensionedField< Type, GeoMesh >::New(), nGases_, IOobjectOption::NO_REGISTER, RRg(), RRg_, and Foam::Zero.

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◆ gasHs()

template<class CompType, class SolidThermo, class GasThermo>

Foam::tmp< Foam::volScalarField > gasHs	(	const volScalarField &	p,
		const volScalarField &	T,
		const label	i ) const

virtual

Return sensible enthalpy for gas i [J/Kg].

Definition at line 610 of file pyrolysisChemistryModel.C.

References Foam::dimEnergy, Foam::dimMass, forAll, gasHs(), gasThermo_, GeometricField< scalar, fvPatchField, volMesh >::New(), IOobjectOption::NO_REGISTER, p, pyrolisisGases_, Foam::T(), and Foam::Zero.

Referenced by gasHs().

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◆ solve() [1/2]

template<class CompType, class SolidThermo, class GasThermo>

Foam::scalar solve ( const scalar deltaT )

virtual

Solve the reaction system for the given time step.

and return the characteristic time

Implements solidChemistryModel< CompType, SolidThermo >.

Definition at line 512 of file pyrolysisChemistryModel.C.

References delta, forAll, mesh, Foam::min(), IOobjectOption::NO_READ, IOobjectOption::NO_REGISTER, IOobjectOption::NO_WRITE, solidChemistryModel< CompType, SolidThermo >::nSolids_, nSpecie_, omega(), basicThermo::p(), p, pi(), solidChemistryModel< CompType, SolidThermo >::reactingCells_, rho, RRg_, solidChemistryModel< CompType, SolidThermo >::RRs_, solve(), basicThermo::T(), Foam::T(), timeName, solidChemistryModel< CompType, SolidThermo >::Ys_, and Foam::Zero.

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◆ nEqns()

template<class CompType, class SolidThermo, class GasThermo>

Foam::label nEqns ( ) const

virtual

Number of ODE's to solve.

Implements solidChemistryModel< CompType, SolidThermo >.

Definition at line 436 of file pyrolysisChemistryModel.C.

References nSpecie_.

Referenced by jacobian(), and omega().

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◆ derivatives()

template<class CompType, class SolidThermo, class GasThermo>

void derivatives	(	const scalar	x,
		const scalarField &	y,
		scalarField &	dydx ) const

virtual

Calculate the derivatives in dydx.

Implements solidChemistryModel< CompType, SolidThermo >.

Definition at line 296 of file pyrolysisChemistryModel.C.

References Foam::mag(), Foam::min(), solidChemistryModel< CompType, SolidThermo >::nSolids_, nSpecie_, omega(), p, solidChemistryModel< CompType, SolidThermo >::solidThermo_, and Foam::T().

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◆ jacobian()

template<class CompType, class SolidThermo, class GasThermo>

void jacobian	(	const scalar	x,
		const scalarField &	y,
		scalarField &	dfdx,
		scalarSquareMatrix &	dfdy ) const

virtual

Calculate the Jacobian of the system.

Need by the stiff-system solvers

Implements solidChemistryModel< CompType, SolidThermo >.

Definition at line 338 of file pyrolysisChemistryModel.C.

References delta, Foam::endl(), Foam::exp(), forAll, Foam::Info, Foam::max(), nEqns(), solidChemistryModel< CompType, SolidThermo >::nSolids_, nSpecie_, omega(), p, Foam::pow(), R, solidChemistryModel< CompType, SolidThermo >::reactions_, Foam::T(), and Foam::Zero.

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◆ solve() [2/2]

template<class CompType, class SolidThermo, class GasThermo>

void solve	(	scalarField &	c,
		scalar &	T,
		scalar &	p,
		scalar &	deltaT,
		scalar &	subDeltaT ) const

virtual

Implements solidChemistryModel< CompType, SolidThermo >.

Definition at line 638 of file pyrolysisChemistryModel.C.

References NotImplemented, p, and Foam::T().

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Member Data Documentation

◆ pyrolisisGases_

template<class CompType, class SolidThermo, class GasThermo>

speciesTable pyrolisisGases_

protected

List of gas species present in reaction system.

Definition at line 65 of file pyrolysisChemistryModel.H.

Referenced by gasHs(), gasTable(), and pyrolysisChemistryModel().

◆ gasThermo_

template<class CompType, class SolidThermo, class GasThermo>

PtrList<GasThermo> gasThermo_

protected

Thermodynamic data of gases.

Definition at line 70 of file pyrolysisChemistryModel.H.

Referenced by gasHs(), gasThermo(), and pyrolysisChemistryModel().

◆ nGases_

template<class CompType, class SolidThermo, class GasThermo>

label nGases_

protected

Number of gas species.

Definition at line 75 of file pyrolysisChemistryModel.H.

Referenced by pyrolysisChemistryModel(), and RRg().

◆ nSpecie_

template<class CompType, class SolidThermo, class GasThermo>

label nSpecie_

protected

Number of components being solved by ODE.

Definition at line 80 of file pyrolysisChemistryModel.H.

Referenced by calculate(), derivatives(), jacobian(), nEqns(), nSpecie(), omega(), pyrolysisChemistryModel(), and solve().

◆ RRg_

template<class CompType, class SolidThermo, class GasThermo>

PtrList<volScalarField::Internal> RRg_

protected

List of reaction rate per gas [kg/m3/s].

Definition at line 85 of file pyrolysisChemistryModel.H.

Referenced by calculate(), pyrolysisChemistryModel(), RRg(), RRg(), RRg(), and solve().

◆ Ys0_

template<class CompType, class SolidThermo, class GasThermo>

PtrList<volScalarField> Ys0_

mutableprotected

List of accumulative solid concentrations.

Definition at line 90 of file pyrolysisChemistryModel.H.

Referenced by omega(), omega(), and pyrolysisChemistryModel().

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

src/thermophysicalModels/solidChemistryModel/pyrolysisChemistryModel/pyrolysisChemistryModel.H
src/thermophysicalModels/solidChemistryModel/pyrolysisChemistryModel/pyrolysisChemistryModel.C
src/thermophysicalModels/solidChemistryModel/pyrolysisChemistryModel/pyrolysisChemistryModelI.H

Public Member Functions

Protected Member Functions

Protected Attributes

Detailed Description

Constructor & Destructor Documentation

◆ pyrolysisChemistryModel()

◆ ~pyrolysisChemistryModel()

Member Function Documentation

◆ RRg() [1/3]

◆ operator=()

◆ TypeName()

◆ gasThermo()

◆ gasTable()

◆ nSpecie()

◆ nGases()

◆ omega() [1/2]

◆ omega() [2/2]

◆ omegaI()

◆ calculate()

◆ RRg() [2/3]

◆ RRg() [3/3]

◆ gasHs()

◆ solve() [1/2]

◆ nEqns()

◆ derivatives()

◆ jacobian()

◆ solve() [2/2]

Member Data Documentation

◆ pyrolisisGases_

◆ gasThermo_

◆ nGases_

◆ nSpecie_

◆ RRg_

◆ Ys0_