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updates to the reacting parcel/cloud

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This commit is contained in:
andy 2008-08-19 16:22:27 +01:00
parent 1d0e0aa92d
commit 531e22bc24
9 changed files with 139 additions and 88 deletions
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146
src/lagrangian/intermediate/parcels/Templates/ReactingParcel/ReactingParcel.C
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@ -59,7 +59,6 @@ void Foam::ReactingParcel<ParcelType>::calcCoupled
const scalar mass0 = this->mass();
const scalar np0 = this->nParticle_;
const scalar T0 = this->T_;
const scalar cp0 = this->cp_;
// ~~~~~~~~~~~~~~~~~~~~~~~~~
// Initialise transfer terms
@ -79,9 +78,12 @@ void Foam::ReactingParcel<ParcelType>::calcCoupled
// - components do not necessarily exist in particle already
scalarList dMassSR(td.cloud().gases().size(), 0.0);
// Total mass lost from particle due to surface reactions
// - sub-model will adjust component mass fractions
scalar dMassMTSR = 0.0;
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
// Calculate velocity - update U
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
scalar Cud = 0.0;
const vector U1 = calcVelocity(td, dt, Cud, dUTrans);
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@ -91,13 +93,6 @@ void Foam::ReactingParcel<ParcelType>::calcCoupled
scalar T1 = calcHeatTransfer(td, dt, celli, htc, dhTrans);
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
// Calculate velocity - update U
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
scalar Cud = 0.0;
const vector U1 = calcVelocity(td, dt, Cud, dUTrans);
// ~~~~~~~~~~~~~~~~~~~~~~~
// Calculate mass transfer
// ~~~~~~~~~~~~~~~~~~~~~~~
@ -107,27 +102,36 @@ void Foam::ReactingParcel<ParcelType>::calcCoupled
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~
// Calculate surface reactions
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~
calcSurfaceReactions(td, dt, celli, T0, T1, dMassMTSR, dMassSR);
// Initialise enthalpy retention to zero
scalar dhRet = 0.0;
calcSurfaceReactions(td, dt, celli, T0, T1, dMassMT, dMassSR, dhRet);
// New total mass
const scalar mass1 = mass0 - sum(dMassMT) - dMassMTSR;
const scalar mass1 = mass0 - sum(dMassMT) - sum(dMassSR);
// Ratio of mass devolatilised to the total volatile mass of the particle
const scalar fVol = 1 -
(YMixture_[0]*mass1)
/(td.cloud().composition().YMixture0()[0]*mass0_);
// Correct particle temperature to account for latent heat of
// devolatilisation
T1 -=
td.constProps().Ldevol()
*sum(dMassMT)
/(0.5*(mass0 + mass1)*this->cp_);
// Specific heat capacity of non-volatile components
const scalar cpNonVolatile =
(
YMixture_[1]*td.cloud().composition().cpLiquid(YLiquid_, pc_, this->Tc_)
+ YMixture_[2]*td.cloud().composition().cpSolid(YSolid_)
)/(YMixture_[1] + YMixture_[2]);
// Add retained enthalpy from surface reaction to particle and remove
// from gas
T1 += dhRet/(0.5*(mass0 + mass1)*this->cp_);
dhTrans -= dhRet;
// New specific heat capacity - linear variation until volatiles
// have evolved
const scalar cp1 = (cpNonVolatile - td.constProps().cp0())*fVol
+ td.constProps().cp0();
// Correct dhTrans to account for enthalpy of evolved volatiles
dhTrans +=
sum(dMassMT)
*td.cloud().composition().HGas(YGas_, 0.5*(T0 + T1));
// Correct dhTrans to account for enthalpy of consumed solids
dhTrans +=
sum(dMassSR)
*td.cloud().composition().HSolid(YSolid_, 0.5*(T0 + T1));
// ~~~~~~~~~~~~~~~~~~~~~~~
@ -147,8 +151,8 @@ void Foam::ReactingParcel<ParcelType>::calcCoupled
td.cloud().UCoeff()[celli] += np0*mass0*Cud;
// Update enthalpy transfer
// td.cloud().hTrans()[celli] += np0*(mass0*cp0*T0 - mass1*cp1*T1);
td.cloud().hTrans()[celli] += np0*((mass0*cp0 - mass1*cp1)*T0 + dhTrans);
// - enthalpy of lost solids already accounted for
td.cloud().hTrans()[celli] += np0*dhTrans;
// Accumulate coefficient to be applied in carrier phase enthalpy coupling
td.cloud().hCoeff()[celli] += np0*htc*this->areaS();
@ -166,7 +170,12 @@ void Foam::ReactingParcel<ParcelType>::calcCoupled
{
td.cloud().rhoTrans(i)[celli] += np0*dMassMT[i];
}
td.cloud().hTrans()[celli] += np0*mass1*cp1*T1;
td.cloud().hTrans()[celli] +=
np0*mass1
*(
YMixture_[0]*td.cloud().composition().HGas(YGas_, T1)
+ YMixture_[2]*td.cloud().composition().HSolid(YSolid_, T1)
);
td.cloud().UTrans()[celli] += np0*mass1*U1;
}
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~
@ -176,7 +185,10 @@ void Foam::ReactingParcel<ParcelType>::calcCoupled
{
this->U_ = U1;
this->T_ = T1;
this->cp_ = cp1;
this->cp_ =
YMixture_[0]*td.cloud().composition().cpGas(YGas_, T1)
+ YMixture_[1]*td.cloud().composition().cpLiquid(YLiquid_, pc_, T1)
+ YMixture_[2]*td.cloud().composition().cpSolid(YSolid_);
// Update particle density or diameter
if (td.cloud().massTransfer().changesVolume())
@ -205,7 +217,7 @@ void Foam::ReactingParcel<ParcelType>::calcUncoupled
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
const scalar T0 = this->T_;
const scalar mass0 = this->mass();
// const scalar cp0 = this->cp();
const scalar cp0 = this->cp_;
// ~~~~~~~~~~~~~~~~~~~~~~~~~
// Initialise transfer terms
@ -225,9 +237,12 @@ void Foam::ReactingParcel<ParcelType>::calcUncoupled
// - components do not necessarily exist in particle already
scalarList dMassSR(td.cloud().gases().size(), 0.0);
// Total mass lost from particle due to surface reactions
// - sub-model will adjust component mass fractions
scalar dMassMTSR = 0.0;
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
// Calculate velocity - update U
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
scalar Cud = 0.0;
const vector U1 = calcVelocity(td, dt, Cud, dUTrans);
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
@ -240,13 +255,6 @@ void Foam::ReactingParcel<ParcelType>::calcUncoupled
T1 = min(td.constProps().Tvap(), T1);
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
// Calculate velocity - update U
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
scalar Cud = 0.0;
const vector U1 = calcVelocity(td, dt, Cud, dUTrans);
// ~~~~~~~~~~~~~~~~~~~~~~~
// Calculate mass transfer
// ~~~~~~~~~~~~~~~~~~~~~~~
@ -256,37 +264,23 @@ void Foam::ReactingParcel<ParcelType>::calcUncoupled
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~
// Calculate surface reactions
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~
calcSurfaceReactions
(
td,
dt,
celli,
T0,
T1,
dMassMTSR,
dMassSR
);
// Initialise enthalpy retention to zero
scalar dhRet = 0.0;
calcSurfaceReactions(td, dt, celli, T0, T1, dMassMT, dMassSR, dhRet);
// New total mass
const scalar mass1 = mass0 - sum(dMassMT) - dMassMTSR;
const scalar mass1 = mass0 - sum(dMassMT) - sum(dMassSR);
// Ratio of mass devolatilised to the total volatile mass of the particle
const scalar fVol = 1 -
(YMixture_[0]*mass1)
/(td.cloud().composition().YMixture0()[0]*mass0_);
// Specific heat capacity of non-volatile components
const scalar cpNonVolatile =
(
YMixture_[1]*td.cloud().composition().cpLiquid(YLiquid_, pc_, this->Tc_)
+ YMixture_[2]*td.cloud().composition().cpSolid(YSolid_)
)/(YMixture_[1] + YMixture_[2]);
// New specific heat capacity - linear variation until volatiles
// have evolved
const scalar cp1 = (cpNonVolatile - td.constProps().cp0())*fVol
+ td.constProps().cp0();
// New specific heat capacity
const scalar cp1 =
YMixture_[0]*td.cloud().composition().cpGas(YGas_, T1)
+ YMixture_[1]*td.cloud().composition().cpLiquid(YLiquid_, pc_, T1)
+ YMixture_[2]*td.cloud().composition().cpSolid(YSolid_);
// Add retained enthalpy to particle
T1 += dhRet/(mass0*0.5*(cp0 + cp1));
// ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
// Remove the particle when mass falls below minimum threshold
@ -389,8 +383,9 @@ void Foam::ReactingParcel<ParcelType>::calcSurfaceReactions
const label celli,
const scalar T0,
const scalar T1,
scalar& dMassMTSR,
scalarList& dMassMT
const scalarList& dMassMT,
scalarList& dMassSR,
scalar& dhRet
)
{
// Check that model is active
@ -409,21 +404,20 @@ void Foam::ReactingParcel<ParcelType>::calcSurfaceReactions
T0,
T1,
this->Tc_,
pc_,
this->rhoc_,
this->mass(),
dMassMT,
YGas_,
YLiquid_,
YSolid_,
YMixture_,
dMassMTSR,
dMassMT
dMassSR,
dhRet
);
}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
// * * * * * * * * * * * * * * * * IOStream operators * * * * * * * * * * * //
#include "ReactingParcelIO.C"

11
src/lagrangian/intermediate/parcels/Templates/ReactingParcel/ReactingParcel.H
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@ -89,6 +89,9 @@ public:
//- Boiling point [K]
const scalar Tbp_;
//- Latent heat of devolatilisation [J/kg]
const scalar Ldevol_;
public:
@ -102,6 +105,9 @@ public:
//- Return const access to the boiling point
inline scalar Tbp() const;
//- Return const access to the latent heat of devolatilisation
inline scalar Ldevol() const;
};
@ -210,8 +216,9 @@ protected:
const label celli,
const scalar T0,
const scalar T1,
scalar& dMassMTSR,
scalarList& dMassMT
const scalarList& dMassMT,
scalarList& dMassSR,
scalar& dhRet
);

11
src/lagrangian/intermediate/parcels/Templates/ReactingParcel/ReactingParcelI.H
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@ -34,7 +34,8 @@ inline Foam::ReactingParcel<ParcelType>::constantProperties::constantProperties
:
ThermoParcel<ParcelType>::constantProperties(dict),
Tvap_(dimensionedScalar(dict.lookup("Tvap")).value()),
Tbp_(dimensionedScalar(dict.lookup("Tbp")).value())
Tbp_(dimensionedScalar(dict.lookup("Tbp")).value()),
Ldevol_(dimensionedScalar(dict.lookup("Ldevol")).value())
{}
@ -127,6 +128,14 @@ Foam::ReactingParcel<ParcelType>::constantProperties::Tbp() const
}
template<class ParcelType>
inline Foam::scalar
Foam::ReactingParcel<ParcelType>::constantProperties::Ldevol() const
{
return Ldevol_;
}
// * * * * * * * * * * * trackData Member Functions * * * * * * * * * * * * //
template<class ParcelType>

9
src/lagrangian/intermediate/submodels/Reacting/CompositionModel/CompositionModel/CompositionModel.H
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@ -209,13 +209,20 @@ public:
//- Return the gas constant for the gas mixture
virtual scalar RGas(const scalarField& YGas) const = 0;
//- Return enthalpy for the gas mixture
//- Return enthalpy for the gas mixture [energy per unit mass]
virtual scalar HGas
(
const scalarField& YGas,
const scalar T
) const = 0;
//- Return enthalpy for the solid mixture [energy per unit mass]
virtual scalar HSolid
(
const scalarField& YSolid,
const scalar T
) const = 0;
//- Return specific heat caparcity for the gas mixture
virtual scalar cpGas
(

23
src/lagrangian/intermediate/submodels/Reacting/CompositionModel/SingleMixtureFraction/SingleMixtureFraction.C
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@ -519,6 +519,29 @@ const
}
template<class CloudType>
Foam::scalar Foam::SingleMixtureFraction<CloudType>::HSolid
(
const scalarField& YSolid,
const scalar T
)
const
{
scalar HMixture = 0.0;
forAll(YSolid, i)
{
label id = solidGlobalIds_[i];
HMixture +=
YSolid[i]
*(
this->solids().properties()[id].Hf()
+ this->solids().properties()[id].cp()*T
);
}
return HMixture;
}
template<class CloudType>
Foam::scalar Foam::SingleMixtureFraction<CloudType>::cpGas
(

5
src/lagrangian/intermediate/submodels/Reacting/CompositionModel/SingleMixtureFraction/SingleMixtureFraction.H
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@ -188,9 +188,12 @@ public:
//- Return the gas constant for the gas mixture
scalar RGas(const scalarField& YGas) const;
//- Return enthalpy for the gas mixture
//- Return enthalpy for the gas mixture [energy per unit mass]
scalar HGas(const scalarField& YGas, const scalar T) const;
//- Return enthalpy for the solid mixture [energy per unit mass]
scalar HSolid(const scalarField& YSolid, const scalar T) const;
//- Return specific heat caparcity for the gas mixture
scalar cpGas(const scalarField& YGas, const scalar T) const;

10
src/lagrangian/intermediate/submodels/Reacting/SurfaceReactionModel/NoSurfaceReaction/NoSurfaceReaction.C
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@ -64,16 +64,20 @@ void Foam::NoSurfaceReaction<CloudType>::calculate
const scalar T0,
const scalar T1,
const scalar Tc,
const scalar pc,
const scalar rhoc,
const scalar massp,
const scalarList& dMassMT,
scalarField& YGas,
scalarField& YLiquid,
scalarField& YSolid,
scalarField& YMixture,
scalar& dMassMTSR,
scalarList& dMassSR
scalarList& dMassSR,
scalar& dhRet
) const
{}
{
// do nothing
}
// ************************************************************************* //

6
src/lagrangian/intermediate/submodels/Reacting/SurfaceReactionModel/NoSurfaceReaction/NoSurfaceReaction.H
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@ -84,14 +84,16 @@ public:
const scalar T0,
const scalar T1,
const scalar Tc,
const scalar pc,
const scalar rhoc,
const scalar massp,
const scalarList& dMassMT,
scalarField& YGas,
scalarField& YLiquid,
scalarField& YSolid,
scalarField& YMixture,
scalar& dMassMTSR,
scalarList& dMassSR
scalarList& dMassSR,
scalar& dhRet
) const;
};

6
src/lagrangian/intermediate/submodels/Reacting/SurfaceReactionModel/SurfaceReactionModel/SurfaceReactionModel.H
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@ -141,14 +141,16 @@ public:
const scalar T0,
const scalar T1,
const scalar Tc,
const scalar pc,
const scalar rhoc,
const scalar massp,
const scalarList& dMassMT,
scalarField& YGas,
scalarField& YLiquid,
scalarField& YSolid,
scalarField& YMixture,
scalar& dMassMTSR,
scalarList& dMassSR
scalarList& dMassSR,
scalar& dhRet
) const = 0;
};