PMID: 23030975Oct 4, 2012

Microscale simulation and numerical upscaling of a reactive flow in a plane channel

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
G M PortaP M Adler

Abstract

A bimolecular homogeneous irreversible reaction of the kind A+B→C is simulated in a plane channel as a base example of reactive transport processes taking place at the microscale within porous and/or fractured media. The numerical study explores the way microscale processes embedded in dimensionless quantities such as Péclet (Pe) and Damköhler (Da) numbers propagate to upscaled coefficients describing effective system dynamics. The microscale evolution of the reactant concentrations is obtained through a particle-based numerical method which has been specifically tailored to the considered problem. Key results include a complete documentation of the process evolution for a wide range of Pe and Da, in terms of the global reaction rate, space-time distribution of reactants, and local mixing features leading to characterization of effective reaction and dispersion coefficients governing a section-averaged upscaled model of the system. The robustness of previously presented theoretical analyses concerning closures of volume-averaged (upscaled) formulations is assessed. The work elucidates the dependence of the effective dispersion and reactive parameters on the microscale mixing and reactive species evolution. Our results identify ...Continue Reading

References

Jul 1, 1985·Physical Review A: General Physics·K Kang, S Redner
Dec 18, 2009·Journal of Contaminant Hydrology·Guy E KatzMaarten W Saaltink
Jul 6, 2010·Journal of Contaminant Hydrology·I Battiato, D M Tartakovsky
Sep 28, 2010·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Alexandre M Tartakovsky
Mar 27, 2012·Journal of Contaminant Hydrology·Shira RubinBrian Berkowitz

Citations

Jun 13, 2015·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Yaniv EderyBrian Berkowitz

Related Concepts

In Silico
Microfluidics
Biological Evolution
Ion Channel
Theoretical Study
Reparative Closure
Local
Dispersion
Channel
Simulation

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