Hybrid Simulations of Reaction-Diffusion Systems in Porous Media

Journal Article · Mon Oct 13 04:00:00 EDT 2008 · SIAM Journal on Scientific Computing, 30(6):2799-2816

DOI:https://doi.org/10.1137/070691097· OSTI ID:947469

Tartakovsky, Alexandre M; Tartakovsky, Daniel M; Scheibe, Timothy D; Meakin, Paul

Hybrid or multi-physics algorithms provide an efficient computational tool for combining micro- and macro-scale descriptions of a physical phenomenon. Their use becomes imperative when micro-scale descriptions are too computationally expensive to be conducted in the whole domain and macro-scale descriptions fail in a small portion of the computation domain. We present a hybrid algorithm to model a general class of reaction-diffusion processes in granular porous media, which includes mixing-induced mineral precipitation on or dissolution of the porous matrix that cannot be accurately described with a continuum (Darcy-scale) model. The pore-scale/Darcy-scale hybrid is constructed by coupling a solution of the reaction-diffusion equation (RDE) at the pore-scale with a continuum Darcy-level solution of theaveraged RDE. The resulting pore-Darcy scales hybrid is solved numerically by employing a multi-resolution meshless discretization based on Smoothed Particle Hydrodynamics (SPH) method, which ensures the seamless, non-iterative coupling of the two components of the hybrid. The presented computational examples illustrate the accuracy and efficiency of the proposed hybrid model.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 947469
• Report Number(s): PNNL-SA-55164; 25602; KP1504010
• Journal Information: SIAM Journal on Scientific Computing, 30(6):2799-2816, Journal Name: SIAM Journal on Scientific Computing, 30(6):2799-2816 Journal Issue: 6 Vol. 30; ISSN 1064-8275; ISSN SJOCE3
• Country of Publication: United States
• Language: English

Related Subjects

54 ENVIRONMENTAL SCIENCES
ALGORITHMS
CHEMICAL REACTIONS
DIFFUSION
Environmental Molecular Sciences Laboratory
GRANULAR MATERIALS
HYDRODYNAMICS
MATHEMATICAL MODELS
MINERALS
POROUS MATERIALS
hybrid model
diffusion
precipitation
SPH