Evaluation of the Effects of Porous Media Structure on Mixing-Controlled Reactions Using Pore-Scale Modeling and Micromodel Experiments

Journal Article · Sat Apr 05 00:00:00 EDT 2008 · Environmental Science & Technology, 42(9):3185–3193

DOI:https://doi.org/10.1021/es7022835· OSTI ID:966655

Willingham, Thomas W.; Werth, Charles J.; Valocchi, Albert J.

The objectives of this work were to determine if a porescale model could accurately capture the physical and chemical processes that control transverse mixing and reaction in microfluidic pore structures (i.e., micromodels), and to directly evaluate the effects of porous media geometry on a transverse mixing-limited chemical reaction. We directly compare porescale numerical simulations using a lattice-Boltzmann finite volume model (LB-FVM) with micromodel experiments using identical pore structures and flow rates, and we examine the effects of grain size, grain orientation, and intraparticle porosity upon the extent of a fast bimolecular reaction. For both the micromodel experiments and LB-FVM simulations, two reactive substrates are introduced into a network of pores via two separate and parallel fluid streams. The substrates mix within the porous media transverse to flow and undergo instantaneous reaction. Results indicate that (i) the LB-FVM simulations accurately captured the physical and chemical process in the micromodel experiments, (ii) grain size alone is not sufficient to quantify mixing at the pore scale, (iii) interfacial contact area between reactive species plumes is a controlling factor for mixing and extent of chemical reaction, (iv) at steady state, mixing and chemical reaction can occur within aggregates due to interconnected intra-aggregate porosity, (v) grain orientation significantly affects mixing and extent of reaction, and (vi) flow focusing enhances transverse mixing by bringing stream lines which were initially distal into close proximity thereby enhancing transverse concentration gradients. This study suggests that subcontinuum effects can play an important role in the overall extent of mixing and reaction in groundwater, and hence may need to be considered when evaluating reactive transport.

• 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: 966655
• Journal Information: Environmental Science & Technology, 42(9):3185–3193, Journal Name: Environmental Science & Technology, 42(9):3185–3193 Journal Issue: 9 Vol. 42
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
54 ENVIRONMENTAL SCIENCES
CHEMICAL REACTION KINETICS
ENVIRONMENTAL TRANSPORT
Environmental Molecular Sciences Laboratory
FLOW RATE
FLUIDS
GRAIN ORIENTATION
GRAIN SIZE
GROUND WATER
MATHEMATICAL MODELS
MIXING
PORE STRUCTURE
POROSITY
POROUS MATERIALS