We present version 3 of the open-source simulator for flow and transport processes in porous media DuMu x . DuMu x is based on the modular C++ framework Dune (Distributed and Unified Numerics Environment) and is developed as a research code with a focus on modularity and reusability. We describe recent efforts in improving the transparency and efficiency of the development process and community-building, as well as efforts towards quality assurance and reproducible research. In addition to a major redesign of many simulation components in order to facilitate setting up complex simulations in DuMu x , version 3 introduces a more consistent abstraction of finite volume schemes. Finally, the new framework for multi-domain simulations is described, and three numerical examples demonstrate its flexibility.
The intrinsic permeability is a crucial parameter to characterise and quantify fluid flow through porous media. However, this parameter is typically uncertain, even if the geometry of the pore structure is available. In this paper, we perform a comparative study of experimental, semi-analytical and numerical methods to calculate the permeability of a regular porous structure. In particular, we use the Kozeny–Carman relation, different homogenisation approaches (3D, 2D, very thin porous media and pseudo 2D/3D), pore-scale simulations (lattice Boltzmann method, Smoothed Particle Hydrodynamics and finite-element method) and pore-scale experiments (microfluidics). A conceptual design of a periodic porous structure with regularly positioned solid cylinders is set up as a benchmark problem and treated with all considered methods. The results are discussed with regard to the individual strengths and limitations of the used methods. The applicable homogenisation approaches as well as all considered pore-scale models prove their ability to predict the permeability of the benchmark problem. The underestimation obtained by the microfluidic experiments is analysed in detail using the lattice Boltzmann method, which makes it possible to quantify the influence of experimental setup restrictions.
4 NH) and bicarbonate are the dominant products of hydrolysis, see Equation 1 (Mitchell et al., 2019). However, carbon dioxide in aqueous solutions occurs as carbonic acid (H 2 CO 3), bicarbonate ( 3 HCO), or carbonate ( 2 3 CO), depending on the pH value. Since ammonia acts as a weak base by taking up a proton and producing hydroxide, it increases the pH value and shifts the equilibrium toward carbonate ions. The additional presence of calcium ions, in our case provided by adding calcium chloride, forces calcium carbonate to precipitate. According to van Paassen (2009), the release of a proton (H +) during the calcium carbonate precipitation buffers the production of hydroxide during the hydrolysis, see Equation 2. On the pore scale, precipitated calcium carbonate leads to changes in pore morphology, and on a larger scale, after averaging, this corresponds to changes in the effective quantities porosity and permeability,
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