Computer Physics Communications Program LibraryPrograms in Physics & Physical Chemistry |

[Licence| Download | New Version Template] aekb_v1_0.tar.gz(62 Kbytes) | ||
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Manuscript Title: An Open-Source Library for the Numerical Modeling of Mass-Transfer in Solid-Oxide Fuel Cells | ||

Authors: Valerio Novaresio, María García-Camprubí, Salvador Izquierdo, Pietro Asinaria, Norberto Fueyo | ||

Program title: multiSpeciesTransportModels | ||

Catalogue identifier: AEKB_v1_0Distribution format: tar.gz | ||

Journal reference: Comput. Phys. Commun. 183(2012)125 | ||

Programming language: C++. | ||

Computer: Any x86 (the instructions reported in the paper consider only the 64 bit case for the sake of simplicity). | ||

Operating system: Generic Linux (the instructions reported in the paper consider only the opensource Ubuntu distribution for the sake of simplicity). | ||

Keywords: Solid Oxide Fuel Cell, Multicomponent, Mass Transfer, Porous Media, OpenFoam®. | ||

Classification: 12. | ||

External routines: OpenFOAM® (version 1.6-ext) (http://www.extend-project.de) | ||

Nature of problem:This software provides a library of models for the simulation of the steady state mass and momentum transport in a multispecies gas mixture, possibly in a porous medium. The software is particularly designed to be used as the mass-transport library for the modeling of solid oxide fuel cells (SOFC). When supplemented with other submodels, such as thermal and charge-transport ones, it allows the prediction of the cell polarization curve and hence the cell performance. | ||

Solution method:Standard finite volume method (FVM) is used for solving all the conservation equations. The pressure-velocity coupling is solved using the SIMPLE algorithm (possibly adding a porous drag term if required). The mass transport can be calculated using different alternative models, namely Fick, Maxwell-Stefan or dusty gas model. The code adopts a segregated method to solve the resulting linear system of equations. The different regions of the SOFC, namely gas channels, electrodes and electrolyte, are solved independently, and coupled through boundary conditions. | ||

Restrictions:When extremely large species fluxes are considered, current implementation of the Neumann and Robin boundary conditions do not avoid negative values of molar and/or mass fractions, which finally end up with numerical instability. However this never happened in the documented runs. Eventually these boundary conditions could be reformulated to become more robust. | ||

Running time:From seconds to hours depending on the mesh size and number of species. For example, on a 64 bit machine with Intel Core Duo T8300 and 3 GBytes of RAM, the provided test run requires less than 1 second. |

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