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Minor changes:

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Added examples for transport mixing model XML
Changed "arrhenius" to "Arrhenius" is XML.
This commit is contained in:
John Hewson 2009-10-24 00:57:49 +00:00
parent 9c98965225
commit d06773652b
2 changed files with 56 additions and 16 deletions
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42
Cantera/src/transport/LiquidTransportParams.h
View file

@ -21,14 +21,54 @@ namespace Cantera {
* 2 - Properties weighted linearly by mass fractions
* 3 - Properties weighted logarithmically by mole fractions (interaction energy weighting)
* 4 - Interactions given pairwise between each possible species (i.e. D_ij)
*
* <transport model="Liquid">
* <viscosity>
* <compositionDependence model="logMoleFractions">
* <interaction>
* <species1> LiCl(L) </species1>
* <species2> KCl(L) </species2>
* <Eij units="J/kmol"> -1.0 </Eij>
* <Sij units="J/kmol/K"> 1.0E-1 </Eij>
* </interaction>
* </compositionDependence>
* </viscosity>
* <speciesDiffusivity>
* <compositionDependence model="pairwiseInteraction">
* <interaction>
* <species1> Li+ </species1>
* <species2> K+ </species2>
* <Dij units="m2/s"> 1.5 </Dij>
* </interaction>
* <interaction>
* <species1> K+ </species1>
* <species2> Cl- </species2>
* <Dij units="m2/s"> 1.0 </Dij>
* </interaction>
* <interaction>
* <species1> Li+ </species1>
* <species2> Cl- </species2>
* <Dij units="m2/s"> 1.2 </Dij>
* </interaction>
* </compositionDependence>
* </speciesDiffusivity>
* <thermalConductivity>
* <compositionDependence model="massFractions"/>
* </thermalConductivity>
* <hydrodynamicRadius>
* <compositionDependence model="none"/>
* </hydrodynamicRadius>
* </transport>
*
*/
enum LiquidTranMixingModel {
LTR_MIXMODEL_NOTSET=-1,
LTR_MIXMODEL_NONE,
LTR_MIXMODEL_SOLVENT,
LTR_MIXMODEL_MOLEFRACS,
LTR_MIXMODEL_MASSFRACS,
LTR_MIXMODEL_LOG_MOLEFRACS,
LTR_PAIRWISE_INTERACTIONS
LTR_PAIRWISE_INTERACTION
};

30
Cantera/src/transport/TransportFactory.cpp
View file

@ -885,29 +885,29 @@ namespace Cantera {
* hydrodynamic radius
*
* format:
* <hydrodynamic_radius model="Constant" units ="A"> 3.0 </hydrodynamic_radius>
* <hydrodynamic_radius> 3.0 </hydrodynamic_radius>
* <hydrodynamic_radius model="Arrhenius">
* <hydrodynamicRadius model="Constant" units ="A"> 3.0 </hydrodynamicRadius>
* <hydrodynamicRadius> 3.0 </hydrodynamicRadius>
* <hydrodynamicRadius model="Arrhenius">
* <A units="A"> 1.0 </A>
* <b> 2.0 </b>
* <E units="kcal/gmol"> 3.0 </E>
* </hydrodynamic_radius>
* </hydrodynamicRadius>
*
* <hydrodynamic_radius model="Coeff">
* <hydrodynamicRadius model="Coeff">
* <float_array> 0.0. 1.0, 2.0, 3.0, 4.0 </float_array>
* </hydrodynamic_radius>
* </hydrodynamicRadius>
*
*/
if (trNode.hasChild("hydrodynamic_radius")) {
XML_Node& hnode = trNode.child("hydrodynamic_radius");
if (trNode.hasChild("hydrodynamicRadius")) {
XML_Node& hnode = trNode.child("hydrodynamicRadius");
std::string units = lowercase(hnode["units"]);
if ( units == "" )
cout << "Warning::hydrodynamic_radius units not given for "
cout << "Warning::hydrodynamicRadius units not given for "
<< name << endl
<< " Units assumed to be meters." << endl;
std::string model = lowercase(hnode["model"]);
if (model == "" || model == "constant") {
A_k = getFloat(trNode, "hydrodynamic_radius", "toSI");
A_k = getFloat(trNode, "hydrodynamicRadius", "toSI");
//A_k = hnode.fp_value();
//// Angstroms -> meters
//A_k = 1.e-10 * A_k;
@ -916,7 +916,7 @@ namespace Cantera {
} else throw TransportDBError(linenum,
"negative or zero hydrodynamic radius");
data.model_hydroradius = LTR_MODEL_CONSTANT;
} else if (model == "arrhenius") {
} else if (model == "Arrhenius") {
getArrhenius(hnode, A_k, n_k, Tact_k);
if (A_k <= 0.0) {
throw TransportDBError(linenum, "negative or zero viscosity");
@ -935,7 +935,7 @@ namespace Cantera {
data.model_hydroradius = LTR_MODEL_POLY;
} else {
throw CanteraError(" TransportFactory::getLiquidSpeciesTransportData",
"Unknown model for hydrodynamic_radius:" + model);
"Unknown model for hydrodynamicRadius:" + model);
}
}
@ -965,7 +965,7 @@ namespace Cantera {
else throw TransportDBError(linenum,
"negative or zero viscosity");
data.model_viscosity = LTR_MODEL_CONSTANT;
} else if (model == "arrhenius") {
} else if (model == "Arrhenius") {
getArrhenius(vnode, A_k, n_k, Tact_k);
if (A_k <= 0.0) {
throw TransportDBError(linenum, "negative or zero viscosity");
@ -1011,7 +1011,7 @@ namespace Cantera {
else throw TransportDBError(linenum,
"negative or zero thermalConductivity");
data.model_thermalCond = LTR_MODEL_CONSTANT;
} else if (model == "arrhenius") {
} else if (model == "Arrhenius") {
getArrhenius(tnode, A_k, n_k, Tact_k);
if (A_k <= 0.0) {
throw TransportDBError(linenum, "negative or zero thermalConductivity");
@ -1058,7 +1058,7 @@ namespace Cantera {
else throw TransportDBError(linenum,
"negative or zero speciesDiffusivity");
data.model_speciesDiffusivity = LTR_MODEL_CONSTANT;
} else if (model == "arrhenius") {
} else if (model == "Arrhenius") {
getArrhenius(dnode, A_k, n_k, Tact_k);
if (A_k <= 0.0) {
throw TransportDBError(linenum, "negative or zero speciesDiffusivity");