Dear all,

I'm happy to release an updated version of multi species mass transport library based on "Novaresio V., Garcìa-Camprubì M., Izquierdo S., Asinari P., Fueyo N., An Open-Source Library for the Numerical Modeling of Mass-Transfer in Solid-Oxide Fuel Cells, Computer Physics Communications, Elsevier B.V., pp. 22, 2011, Vol. 183, pag. 125-146, ISSN: 0010-4655, DOI: 10.1016/j.cpc.2011.08.003". I'd like to underline that the contribution of all the authors was fundamental (let me say indispensable...) for the theoretical background of this library.

The library is fully integrated with OpenFOAM-1.6-ext (succesfully tested with "clean" version obtained using git clone git://openfoam-extend.git.sourceforge.net/gitroot/openfoam-extend/OpenFOAM-1.6-ext). The diffusivityModels library contains a series of classes to compute binary diffusion coefficients (ChapmanEnskog, Wilke, Fuller, Constant) and Knudsen diffusion coefficien for porous media. The multiSpeciesTransportModels library contains a series of models to compute diffusive fluxes (SchmidtNumber, LewisNumber, FickDilutedMixture, Fick, MaxwellStefan).

There are few differences between this library and the paper. In attached one can find a short documentation that also describes this differences. The library comes with a solver (a modified version of reactingFoam that can use the multi species mass library) and with a simple test case for methane laminar combustion (special thanks to Silvano Pautasso). The ./install script copies and compiles all files respectively in $FOAM_USER/lib, $FOAM_USER/applications and $FOAM_USER/run.

Probably the code still has some bugs. Any suggestion, feedback. correction or further improvement will be appreciated.

Best regards

Valerio

Originally Posted by novyno (Post 366425) Dear all, I'm happy to release an updated version of multi species mass transport library based on "Novaresio V., Garcìa-Camprubì M., Izquierdo S., Asinari P., Fueyo N., An Open-Source Library for the Numerical Modeling of Mass-Transfer in Solid-Oxide Fuel Cells, Computer Physics Communications, Elsevier B.V., pp. 22, 2011, Vol. 183, pag. 125-146, ISSN: 0010-4655, DOI: 10.1016/j.cpc.2011.08.003". I'd like to underline that the contribution of all the authors was fundamental (let me say indispensable...) for the theoretical background of this library. The library is fully integrated with OpenFOAM-1.6-ext (succesfully tested with "clean" version obtained using git clone git://openfoam-extend.git.sourceforge.net/gitroot/openfoam-extend/OpenFOAM-1.6-ext). The diffusivityModels library contains a series of classes to compute binary diffusion coefficients (ChapmanEnskog, Wilke, Fuller, Constant) and Knudsen diffusion coefficien for porous media. The multiSpeciesTransportModels library contains a series of models to compute diffusive fluxes (SchmidtNumber, LewisNumber, FickDilutedMixture, Fick, MaxwellStefan). There are few differences between this library and the paper. In attached one can find a short documentation that also describes this differences. The library comes with a solver (a modified version of reactingFoam that can use the multi species mass library) and with a simple test case for methane laminar combustion (special thanks to Silvano Pautasso). The ./install script copies and compiles all files respectively in $FOAM_USER/lib, $FOAM_USER/applications and $FOAM_USER/run. Probably the code still has some bugs. Any suggestion, feedback. correction or further improvement will be appreciated. Best regards Valerio

Originally Posted by novyno (Post 366425) Dear all, I'm happy to release an updated version of multi species mass transport library based on "Novaresio V., Garcìa-Camprubì M., Izquierdo S., Asinari P., Fueyo N., An Open-Source Library for the Numerical Modeling of Mass-Transfer in Solid-Oxide Fuel Cells, Computer Physics Communications, Elsevier B.V., pp. 22, 2011, Vol. 183, pag. 125-146, ISSN: 0010-4655, DOI: 10.1016/j.cpc.2011.08.003". I'd like to underline that the contribution of all the authors was fundamental (let me say indispensable...) for the theoretical background of this library. The library is fully integrated with OpenFOAM-1.6-ext (succesfully tested with "clean" version obtained using git clone git://openfoam-extend.git.sourceforge.net/gitroot/openfoam-extend/OpenFOAM-1.6-ext). The diffusivityModels library contains a series of classes to compute binary diffusion coefficients (ChapmanEnskog, Wilke, Fuller, Constant) and Knudsen diffusion coefficien for porous media. The multiSpeciesTransportModels library contains a series of models to compute diffusive fluxes (SchmidtNumber, LewisNumber, FickDilutedMixture, Fick, MaxwellStefan). There are few differences between this library and the paper. In attached one can find a short documentation that also describes this differences. The library comes with a solver (a modified version of reactingFoam that can use the multi species mass library) and with a simple test case for methane laminar combustion (special thanks to Silvano Pautasso). The ./install script copies and compiles all files respectively in $FOAM_USER/lib, $FOAM_USER/applications and $FOAM_USER/run. Probably the code still has some bugs. Any suggestion, feedback. correction or further improvement will be appreciated. Best regards Valerio

Originally Posted by mturcios777 (Post 372425) I've been monitoring this thread and am quite interested in experimenting with it. Jose, other than Niklas' comment about the inert species, were there any other fixes required to get it running in 2.1.x? From your earlier comments it appears you were gunning for that. Thanks!

Create time Create mesh for time = 0 Reading chemistry properties Reading g Reading thermophysicalProperties Selecting psiChemistryModel ODEChemistryModel<gasThermoPhysics> Selecting thermodynamics package hsPsiMixtureThermo<reactingMixture<gasThermoPhysic s>> Selecting chemistryReader chemkinReader Selecting chemistrySolver ode ODEChemistryModel: Number of species = 5 and reactions = 1 Reading field U Reading/calculating face flux field phi Creating turbulence model. Selecting turbulence model type laminar Creating field DpDt --> FOAM FATAL ERROR: C7H16 not found in table. Valid entries: 12 ( OH N2 CO2 H2O2 O2 H2 CH4 HO2 O H2O H ) From function HashTable<T, Key, Hash>::operator[](const Key&) in file /data/CFD/OpenFOAM/OpenFOAM-1.6-ext/src/OpenFOAM/lnInclude/HashTableI.H at line 111. FOAM exiting

Originally Posted by jose_rodrig (Post 372451) Nop, C7H16 is there. That's why it's really strange. I have no idea why that table has those species loaded. H2, CH4, OH, H2O2 are not even in the reaction file. So it makes no sense that they are in the table. Did you try to replicate the set up?