Simulation of mixing-limited reactions using a continuum approach

•Mixing limited reaction can be achieved by imposed reactant segregation.•Reaction regime can be controlled separately from domain dimensionality.•One dimensional mixing produces a good fit to a longitudinal mixing experiment. The limiting of reaction rates in porous media due to the imperfect mixin...

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Bibliographic Details
Published in:Advances in water resources 2017-06, Vol.104, p.15-22
Main Author: Barnard, Jack M.
Format: Article
Language:English
Subjects:
Computer simulation
Continuum methods
Methods
Mixing-limited reactions
Particle tracking
Porous materials
Porous media
Rates
Simulation
Studies
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Summary:•Mixing limited reaction can be achieved by imposed reactant segregation.•Reaction regime can be controlled separately from domain dimensionality.•One dimensional mixing produces a good fit to a longitudinal mixing experiment. The limiting of reaction rates in porous media due to the imperfect mixing of reactants is a well studied phenomenon. It has been observed on both the field and laboratory scale and studied using a range of numerical techniques including continuum approaches and Lagrangian particle tracking methods. A new method is presented here for the simulation of mixing-limited reactions using continuum methods, based on the idea of separating each reactant into a mixed and an unmixed fraction, of which only the mixed fraction can react. The method is shown to be capable of producing mixing-limited reaction rates associated with one-, two-, and three-dimensional systems, and of producing outputs well fitted to the experimental data presented in Gramling et al. (2002) .
ISSN:0309-1708
1872-9657
DOI:10.1016/j.advwatres.2017.03.012