Added classes to compute effects of porous flow on species transport.

There are two primary methods in these classes: 

McMillan() that computes the ratio of the porous transport rate 
to the non-porous transport rate.

toruosityFactor() that computes the "tortuosity" component of this 
ratio (the increase in the diffusion length scale).

The base class implements a general Bruggemann formulation and subclasses
implement a percolation theory models and Maxwell's model.  

I did not put in copy constructors, etc., for these calsses yet.
This commit is contained in:
John Hewson 2010-05-05 22:49:34 +00:00
parent 82e215d732
commit e8d545fba9
2 changed files with 177 additions and 1 deletions

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@ -41,7 +41,7 @@ TRAN_OBJ = TransportFactory.o MultiTransport.o MixTransport.o MMCollisionInt.
TRAN_H = TransportFactory.h MultiTransport.h MixTransport.h \
MMCollisionInt.h SolidTransport.h DustyGasTransport.h \
TransportBase.h L_matrix.h TransportParams.h WaterTransport.h \
SimpleTransport.h LiquidTranInteraction.h
SimpleTransport.h LiquidTranInteraction.h Tortuosity.h
ifeq ($(do_electro),1)
do_issp = 1

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@ -0,0 +1,176 @@
/**
* @file Tortuosity.h
* Class to compute the increase in diffusive path length associated with
* tortuous path diffusion through, for example, porous media.
*/
namespace Cantera {
/**
* Class to compute the increase in diffusive path length associated with
* tortuous path diffusion through, for example, porous media.
* This base class implementation relates tortuosity to volume fraction
* through a power-law relationship that goes back to Bruggemann. The
* exponent is referred to as the Bruggemann exponent.
*
* Note that the total diffusional flux is generally written as
*
* \f[
* \frac{ \phi C_T D_i \nabla X_i }{ \tau^2 }
* \f]
*
* where \f$ \phi \f$ is the volume fraction of the transported phase,
* \f$ \tau \f$ is referred to as the tortuosity. (Other variables are
* \f$ C_T \f$, the total concentration, \f$ D_i \f$, the diffusion
* coefficient, and \f$ X_i \f$, the mole fraction with Fickian
* transport assumed.)
*
* The tortuosity comes into play in conjunction the the
*/
class Tortuosity {
public:
//! Default constructor uses Bruggemann exponent of 1.5
Tortuosity( double setPower = 1.5 ) : expBrug_(setPower) {
}
//! The tortuosity factor models the effective increase in the
//! diffusive transport length.
/**
* This method returns \f$ 1/\tau^2 \f$ in the description of the
* flux \f$ \phi C_T D_i \nabla X_i / \tau^2 \f$.
*/
virtual double toruosityFactor( double porosity ) {
return pow( porosity, expBrug_ - 1.0 );
}
//! The McMillan number is the ratio of the flux-like
//! variable to the value it would have without porous flow.
/**
* The McMillan number combines the effect of toruosity
* and volume fraction of the transported phase. The net flux
* observed is then the product of the McMillan number and the
* non-porous transport rate. For a conductivity in a non-porous
* media, \f$ \kappa_0 \f$, the conductivity in the porous media
* would be \f$ \kappa = (\rm McMillan) \kappa_0 \f$.
*/
virtual double McMillan( double porosity ) {
return pow( porosity, expBrug_ );
}
protected:
//! Bruggemann exponent: power to which the tortuosity depends on the volume fraction
double expBrug_ ;
};
/** This class implements transport coefficient corrections
* appropriate for porous media where percollation theory applies.
* It is derived from the Tortuosity class.
*/
class TortuosityPercolation : public Tortuosity {
public:
//! Default constructor uses Bruggemann exponent of 1.5
TortuosityPercolation( double percolationThreshold = 0.4, double conductivityExponent = 2.0 ) : percolationThreshold_(percolationThreshold), conductivityExponent_(conductivityExponent) {
}
//! The tortuosity factor models the effective increase in the
//! diffusive transport length.
/**
* This method returns \f$ 1/\tau^2 \f$ in the description of the
* flux \f$ \phi C_T D_i \nabla X_i / \tau^2 \f$.
*/
double toruosityFactor( double porosity ) {
return McMillan( porosity ) / porosity;
}
//! The McMillan number is the ratio of the flux-like
//! variable to the value it would have without porous flow.
/**
* The McMillan number combines the effect of toruosity
* and volume fraction of the transported phase. The net flux
* observed is then the product of the McMillan number and the
* non-porous transport rate. For a conductivity in a non-porous
* media, \f$ \kappa_0 \f$, the conductivity in the porous media
* would be \f$ \kappa = (\rm McMillan) \kappa_0 \f$.
*/
double McMillan( double porosity ) {
return pow( ( porosity - percolationThreshold_ )
/ ( 1.0 - percolationThreshold_ ),
conductivityExponent_ );
}
protected:
//! Critical volume fraction / site density for percolation
double percolationThreshold_;
//! Conductivity exponent
/**
* The McMillan number (ratio of effective conductivity
* to non-porous conductivity) is
* \f[ \kappa/\kappa_0 = ( \phi - \phi_c )^\mu \f]
* where \f$ \mu \f$ is the conductivity exponent (typical
* values range from 1.6 to 2.0) and \f$ \phi_c \f$
* is the percolation threshold.
*/
double conductivityExponent_;
};
/** This class implements transport coefficient corrections
* appropriate for porous media with a dispersed phase.
* This model goes back to Maxwell. The formula for the
* conductivity is expressed in terms of the volume fraction
* of the continuous phase, \f$ \phi \f$, and the relative
* conductivities of the dispersed and continuous phases,
* \f$ r = \kappa_d / \kappa_0 \f$. For dilute particle
* suspensions the effective conductivity is
* \f[
* \kappa / \kappa_0 = 1 + 3 ( 1 - \phi ) ( r - 1 ) / ( r + 2 )
* + O(\phi^2)
* \f]
* The class is derived from the Tortuosity class.
*/
class TortuosityMaxwell : public Tortuosity {
public:
//! Default constructor uses Bruggemann exponent of 1.5
TortuosityMaxwell( double relativeConductivites = 0.0 ) : relativeConductivites_(relativeConductivites) {
}
//! The tortuosity factor models the effective increase in the
//! diffusive transport length.
/**
* This method returns \f$ 1/\tau^2 \f$ in the description of the
* flux \f$ \phi C_T D_i \nabla X_i / \tau^2 \f$.
*/
double toruosityFactor( double porosity ) {
return McMillan( porosity ) / porosity;
}
//! The McMillan number is the ratio of the flux-like
//! variable to the value it would have without porous flow.
/**
* The McMillan number combines the effect of toruosity
* and volume fraction of the transported phase. The net flux
* observed is then the product of the McMillan number and the
* non-porous transport rate. For a conductivity in a non-porous
* media, \f$ \kappa_0 \f$, the conductivity in the porous media
* would be \f$ \kappa = (\rm McMillan) \kappa_0 \f$.
*/
double McMillan( double porosity ) {
return 1 + 3 * ( 1.0 - porosity ) * ( relativeConductivites_ - 1.0 ) / ( relativeConductivites_ + 2 );
}
protected:
//! Relative conductivities of the dispersed and continuous phases,
//! \code{relativeConductivites_}\f$ = \kappa_d / \kappa_0 \f$.
double relativeConductivites_;
};
}