Computer Physics Communications 183 (2012) 125–146 Contents lists available at ScienceDirect Computer Physics Communications www.elsevier.com/locate/cpc An open-source library for the numerical modeling of mass-transfer in solid oxide fuel cells ✩ Valerio Novaresio a,1 , María García-Camprubí b,1 , Salvador Izquierdo a,2 , Pietro Asinari a,∗ , Norberto Fueyo b a Dipartimento di Energetica, Politecnico di Torino, Corso Duca degli Abruzzi 24, 1019, Torino, Italy b Área de Mecánica de Fluidos-LITEC, Universidad de Zaragoza, María de Luna 3, 50018, Zaragoza, Spain article info abstract Article history: Received 14 January 2011 Received in revised form 4 August 2011 Accepted 5 August 2011 Available online 18 August 2011 Keywords: Solid oxide fuel cell Multicomponent Mass-transfer Porous media OpenFoam ® The generation of direct current electricity using solid oxide fuel cells (SOFCs) involves several interplaying transport phenomena. Their simulation is crucial for the design and optimization of reliable and competitive equipment, and for the eventual market deployment of this technology. An open-source library for the computational modeling of mass-transport phenomena in SOFCs is presented in this article. It includes several multicomponent mass-transport models (i.e. Fickian, Stefan–Maxwell and Dusty Gas Model), which can be applied both within porous media and in porosity-free domains, and several diffusivity models for gases. The library has been developed for its use with OpenFOAM ® , a widespread open-source code for ﬂuid and continuum mechanics. The library can be used to model any ﬂuid ﬂow conﬁguration involving multicomponent transport phenomena and it is validated in this paper against the analytical solution of one-dimensional test cases. In addition, it is applied for the simulation of a real SOFC and further validated using experimental data. Program summary Program title: multiSpeciesTransportModels Catalogue identiﬁer: AEKB_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEKB_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU General Public License No. of lines in distributed program, including test data, etc.: 18 140 No. of bytes in distributed program, including test data, etc.: 64 285 Distribution format: tar.gz 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 open-source Ubuntu distribution for the sake of simplicity) 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 multi-species 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 sub-models, 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, ✩ This paper and its associated computer program are available via the Computer Physics Communications homepage on ScienceDirect (http://www.sciencedirect.com/ science/journal/00104655). * Corresponding author: Tel.: +39 011 090 4520. E-mail address: pietro.asinari@polito.it (P. Asinari). 1 These authors contributed equally to this work. 2 Current aﬃliation: Instituto Tecnológico de Aragón (ITA), María de Luna 8, 50018 Zaragoza, Spain. 0010-4655/$ – see front matter  2011 Elsevier B.V. All rights reserved. doi:10.1016/j.cpc.2011.08.003