Heterogeneous Multi-Rate mass transfer models in OpenFOAM

• Published in: Computer physics communications 2021-04, Vol.261, p.107763, Article 107763
• Main Authors: Municchi, Federico, Di Pasquale, Nicodemo, Dentz, Marco, Icardi, Matteo
• Format: Article
• Language: English
• Subjects: Heterogeneous media; Multi-Rate Mass Transfer models; Multiphase; OpenFOAM; Transport
• ISSN: 0010-4655; 1879-2944
• DOI: 10.1016/j.cpc.2020.107763

We implement the Multi-Rate Mass Transfer (MRMT) model for mobile–immobile transport in porous media (Haggerty and Gorelick, 1995; Municchi and Icardi, 2019 [1]) within the open-source finite volume library OpenFOAM® (Foundation, 2014). Unlike other codes available in the literature (Geiger et al., 2011 [2]; Silva et al., 2009), we propose an implementation that can be applied to complex three-dimensional geometries and highly heterogeneous fields, where the parameters of the MRMT can arbitrarily vary in space. Furthermore, being built over the widely diffused OpenFOAM® library, it can be easily extended and included in other models, and run in parallel. We briefly describe the structure of the multiContinuumModels library that includes the formulation of the MRMT based on the works of Haggerty and Gorelick (1995) and Municchi and Icardi (2020a). The implementation is verified against benchmark solutions and tested on two- and three-dimensional random permeability fields. The role of various physical and numerical parameters, including the transfer rates, the heterogeneities, and the number of terms in the MRMT expansions, is investigated. Finally, we illustrate the significant role played by heterogeneity in the mass transfer when permeability and porosity are represented using Gaussian random fields. Program Title: mrmtFoam CPC Library link to program files:https://dx.doi.org/10.17632/fkywm44j3y.1 Developer’s repository link:https://github.com/multiform-UoN/mrmtFOAM Licensing provisions: GPL 3.0 Programming language: C++ Nature of problem: Large scale dynamics of heat and mass transfer in heterogeneous media where one mobile region coexists with multiple immobile regions. Solution method: The multi-rate mass transfer model is employed to described pre-asymptotic (i.e., non equilibrium ) transfer between regions. This method is implemented using the opensource finite volume library OpenFOAM® References: Municchi et al. (0000) •Implementation of the Multi-Rate mass transfer model in OpenFOAM®.•The model allows heterogeneous fields and arbitrary geometry.•Comparison against analytical solutions.•OpenFOAM® based workflow for geological simulations.