Upscaling transport of adsorbing solutes in porous media: pore-network modeling

A. Raoof, S.M. Hassanizadeh, A. Leijnse

Research output: Contribution to journalArticleAcademicpeer-review

47 Citations (Scopus)

Abstract

The main objective of this research was to enhance our understanding of and obtain quantitative relation between Darcy-scale adsorption parameters and pore-scale flow and adsorption parameters, using a three-dimensional multidirectional pore-network model. This helps to scale up from a simplified but reasonable representation of microscopic physics to the scale of interest in practical applications. This upscaling is performed in two stages: (i) from local scale to the effective pore scale and (ii) from effective pore scale to the scale of a core. The first stage of this upscaling from local scale to effective pore scale has been reported in an earlier manuscript. There, we found relationships between local-scale parameters (such as equilibrium adsorption coefficient, k d, and Peclet number, Pe) and effective parameters (such as attachment coefficient, k att, and detachment coefficient, k det). Here, we perform upscaling by means of a three-dimensional multidirectional network model, which is composed of a large number of interconnected pore bodies (represented by spheres) and pore throats (represented by tubes). Upscaled transport parameters are obtained by fitting the solution of classical advectiondispersion equation with adsorption to the average concentration breakthrough curves at the outlet of the pore network. This procedure has resulted in relationships for upscaled adsorption parameters in terms of the microscale adsorption coefficient and flow velocity.
Original languageEnglish
Pages (from-to)624-636
JournalVadose Zone Journal
Volume9
Issue number3
DOIs
Publication statusPublished - 2010

Fingerprint

soil transport processes
upscaling
porous media
porous medium
solute
adsorption
modeling
throat
breakthrough curve
physics
flow velocity
parameter

Keywords

  • geochemical reaction-rates
  • lattice boltzmann method
  • water velocity
  • nonequilibrium transport
  • capillary-pressure
  • organic-chemicals
  • multiphase flow
  • heterogeneous aquifers
  • relative permeability
  • hydrothermal systems

Cite this

Raoof, A. ; Hassanizadeh, S.M. ; Leijnse, A. / Upscaling transport of adsorbing solutes in porous media: pore-network modeling. In: Vadose Zone Journal. 2010 ; Vol. 9, No. 3. pp. 624-636.
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Upscaling transport of adsorbing solutes in porous media: pore-network modeling. / Raoof, A.; Hassanizadeh, S.M.; Leijnse, A.

In: Vadose Zone Journal, Vol. 9, No. 3, 2010, p. 624-636.

Research output: Contribution to journalArticleAcademicpeer-review

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T1 - Upscaling transport of adsorbing solutes in porous media: pore-network modeling

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AU - Hassanizadeh, S.M.

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AB - The main objective of this research was to enhance our understanding of and obtain quantitative relation between Darcy-scale adsorption parameters and pore-scale flow and adsorption parameters, using a three-dimensional multidirectional pore-network model. This helps to scale up from a simplified but reasonable representation of microscopic physics to the scale of interest in practical applications. This upscaling is performed in two stages: (i) from local scale to the effective pore scale and (ii) from effective pore scale to the scale of a core. The first stage of this upscaling from local scale to effective pore scale has been reported in an earlier manuscript. There, we found relationships between local-scale parameters (such as equilibrium adsorption coefficient, k d, and Peclet number, Pe) and effective parameters (such as attachment coefficient, k att, and detachment coefficient, k det). Here, we perform upscaling by means of a three-dimensional multidirectional network model, which is composed of a large number of interconnected pore bodies (represented by spheres) and pore throats (represented by tubes). Upscaled transport parameters are obtained by fitting the solution of classical advectiondispersion equation with adsorption to the average concentration breakthrough curves at the outlet of the pore network. This procedure has resulted in relationships for upscaled adsorption parameters in terms of the microscale adsorption coefficient and flow velocity.

KW - geochemical reaction-rates

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KW - multiphase flow

KW - heterogeneous aquifers

KW - relative permeability

KW - hydrothermal systems

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