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This commit is contained in:
Harry Moffat 2010-07-06 14:07:36 +00:00
parent 86be28621a
commit ccb4737040
2 changed files with 55 additions and 14 deletions
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43
Cantera/src/transport/TransportFactory.cpp
View file

@ -181,14 +181,20 @@ namespace Cantera {
(q2*xk*xk + q1*xj*xj + q12*xk*xj);
}
//=============================================================================================================================
// Corrections for polar-nonpolar binary diffusion coefficients
/*
Calculate corrections to the well depth parameter and the
diamter for use in computing the binary diffusion coefficient
of polar-nonpolar pairs. For more information about this
correction, see Dixon-Lewis, Proc. Royal Society (1968).
*/
* Calculate corrections to the well depth parameter and the
* diameter for use in computing the binary diffusion coefficient
* of polar-nonpolar pairs. For more information about this
* correction, see Dixon-Lewis, Proc. Royal Society (1968).
*
* @param i Species one - this is a bimolecular correction routine
* @param j species two - this is a bimolecular correction routine
* @param tr Database of species properties read in from the input xml file.
* @param f_eps Multiplicative correction factor to be applied to epsilon(i,j)
* @param f_sigma Multiplicative correction factor to be applied to diam(i,j)
*/
void TransportFactory::makePolarCorrections(int i, int j,
const GasTransportParams& tr, doublereal& f_eps, doublereal& f_sigma) {
@ -213,7 +219,7 @@ namespace Cantera {
f_sigma = pow(xi, -1.0/6.0);
f_eps = xi*xi;
}
//=============================================================================================================================
/*
TransportFactory(): default constructor
@ -224,7 +230,6 @@ namespace Cantera {
TransportFactory::TransportFactory() :
m_verbose(false),
m_integrals(0)
{
m_models["Mix"] = cMixtureAveraged;
m_models["Multi"] = cMulticomponent;
@ -664,8 +669,21 @@ namespace Cantera {
}
}
//====================================================================================================================
// Initialize an existing transport manager
/*
* This routine sets up an existing gas-phase transport manager.
* It calculates the collision integrals and calls the initGas() function to
* populate the species-dependent data structure.
*
* @param tr Pointer to the Transport manager
* @param thermo Pointer to the ThermoPhase object
* @param mode Chemkin compatible mode or not. This alters the specification of the
* collision integrals. defaults to no.
* @param log_level Defaults to zero, no logging
*
* In DEBUG_MODE, this routine will create the file transport_log.xml
* and write informative information to it.
*/
void TransportFactory::initTransport(Transport* tran,
thermo_t* thermo, int mode, int log_level) {
@ -673,6 +691,9 @@ namespace Cantera {
GasTransportParams trParam;
#ifdef DEBUG_MODE
if (log_level == 0) {
m_verbose = 0;
}
ofstream flog("transport_log.xml");
trParam.xml = new XML_Writer(flog);
if (m_verbose) {
@ -695,7 +716,7 @@ namespace Cantera {
#endif
return;
}
//====================================================================================================================
/* Similar to initTransport except uses LiquidTransportParams
class and calls setupLiquidTransport().

26
Cantera/src/transport/TransportFactory.h
View file

@ -173,8 +173,22 @@ namespace Cantera {
newTransport(thermo_t* thermo, int log_level=0);
//! Initialize an existing transport manager
virtual void initTransport(Transport* tr,
thermo_t* thermo, int mode=0, int log_level=0);
/*!
* This routine sets up an existing gas-phase transport manager.
* It calculates the collision integrals and calls the initGas() function to
* populate the species-dependent data structure.
*
* @param tr Pointer to the Transport manager
* @param thermo Pointer to the ThermoPhase object
* @param mode Chemkin compatible mode or not. This alters the specification of the
* collision integrals. defaults to no.
* @param log_level Defaults to zero, no logging
*
* In DEBUG_MODE, this routine will create the file transport_log.xml
* and write informative information to it.
*
*/
virtual void initTransport(Transport* tr, thermo_t* thermo, int mode=0, int log_level=0);
//! Initialize an existing transport manager for liquid phase
/*! Similar to initTransport except uses LiquidTransportParams
@ -336,9 +350,15 @@ namespace Cantera {
//! Corrections for polar-nonpolar binary diffusion coefficients
/*!
* Calculate corrections to the well depth parameter and the
* diamter for use in computing the binary diffusion coefficient
* diameter for use in computing the binary diffusion coefficient
* of polar-nonpolar pairs. For more information about this
* correction, see Dixon-Lewis, Proc. Royal Society (1968).
*
* @param i Species one - this is a bimolecular correction routine
* @param j species two - this is a bimolecular correction routine
* @param tr Database of species properties read in from the input xml file.
* @param f_eps Multiplicative correction factor to be applied to epsilon(i,j)
* @param f_sigma Multiplicative correction factor to be applied to diam(i,j)
*/
void makePolarCorrections(int i, int j,
const GasTransportParams& tr, doublereal& f_eps,