Mesoscale and Hybrid Models of Fluid Flow and Solute Transport

Mehmani, Yashar; Balhoff, Matthew T.

doi:10.2138/rmg.2015.80.13

Cited by 51 publications

(34 citation statements)

References 145 publications

(185 reference statements)

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“…While known to be computationally efficient, they have so far failed to properly account for shear dispersion within throats which can lead to errors in predicting macroscopic longitudinal dispersion. The reader is referred to a recent review by Mehmani and Balhoff [] for detailed discussions on Eulerian and Lagrangian network models.…”

Section: Introductionmentioning

confidence: 99%

Eulerian network modeling of longitudinal dispersion

Mehmani

Balhoff

2015

Water Resources Research

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A novel Eulerian network model that incorporates “shear dispersion,” the stretching of solute due to nonuniform velocity profiles within pore throats is developed. The superposing transport method (STM) is nonlocal in time (i.e., uses information from several previous time steps) and is equivalent to performing network‐wide time convolutions of elementary throat response functions. Predicted macroscopic longitudinal dispersion coefficients for disordered sphere packs are in good agreement with published experimental data. We further investigate the impact of mixing assumptions within pores on macroscopic longitudinal dispersion and find the dependence to be weak for disordered sphere packs. Limitations of Eulerian network models as a whole are also discussed, and their inappropriateness for ordered porous media concluded.

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Section: Introductionmentioning

confidence: 99%

Eulerian network modeling of longitudinal dispersion

Mehmani

Balhoff

2015

Water Resources Research

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“…Continuum-based models are defined as partial-differential equations based on the continuity principle (either the mass conservation law (mass balance) or particle number/volume balance) over the bulk spatial and temporal domains of the system which are either continuous or numerically-discretized continuous domains [30,35,36,[85][86][87]. This definition contrasts with pore-scale models in which the domain has a discrete configuration of solid and fluid [87]. In this review, we narrow down the scope of the continuum-based models to Eulerian techniques and thus…”

Section: Introductionmentioning

confidence: 99%

Continuum-based models and concepts for the transport of nanoparticles in saturated porous media: A state-of-the-science review

Babakhani¹,

Bridge

Doong³

et al. 2017

Advances in Colloid and Interface Science

143

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Environmental applications of nanoparticles (NP) increasingly result in widespread NP distribution within porous media where they are subject to various concurrent transport mechanisms including irreversible deposition, attachment/detachment (equilibrium or kinetic), agglomeration, physical straining, site-blocking, ripening, and size exclusion. Fundamental research in NP transport is typically conducted at small scale, and theoretical mechanistic modeling of particle transport in porous media faces challenges when considering the simultaneous effects of transport mechanisms. Continuum modeling approaches, in contrast, are scalable across various scales ranging from column experiments to aquifer. They have also been able to successfully describe the simultaneous occurrence of various transport mechanisms of NP in porous media such as blocking/straining or agglomeration/deposition/detachment. However, the diversity of model equations developed by different authors and the lack of effective approaches for their validation present obstacles to the successful robust application of these models for describing or predicting NP transport phenomena. This review aims to describe consistently all the important NP transport mechanisms along with their representative mathematical continuum models as found in the current scientific literature. Detailed characterizations of each transport phenomenon in regards to their manifestation in the column experiment outcomes, i.e., breakthrough curve (BTC) and residual concentration profile (RCP), are presented to facilitate future interpretations of BTCs and RCPs. The review highlights two NP transport mechanisms, agglomeration and size exclusion, which are potentially of great importance in controlling the fate and transport of NP in the subsurface media yet have been widely neglected in many existing modeling studies. A critical limitation of the continuum modeling approach is the number of parameters used upon application to larger scales and when a series of transport mechanisms are involved. We investigate the use of simplifying assumptions, such as the equilibrium assumption, in modeling the attachment/detachment mechanisms within a continuum modelling framework. While acknowledging criticisms about the use of this assumption for NP deposition on a mechanistic (process) basis, we found that its use as a description of dynamic deposition behavior in a continuum model yields broadly similar results to those arising from a kinetic model. Furthermore, we show that in two dimensional (2-D) continuum models the modeling efficiency based on the Akaike information criterion (AIC) is enhanced for equilibrium vs kinetic with no significant reduction in model performance. This is because fewer parameters are needed for the equilibrium model compared to the kinetic model. Two major transport regimes are identified in the transport of NP within porous media. The first regime is characterized by higher particle-surface attachment affinity than particle-particle attachment affinity, and operat...

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“…Applications to dissolution and precipitation in porous and fractured rock will be presented to illustrate the capacity of XMT for investigating the effect of small-scale geometry modifi cations on fl ow and transport properties. This article is focused primarily on experimental investigations, and is not intended to cover the pore-scale modeling approaches and investigations, which are fully detailed in other articles (Liu et al 2015;Mehmani and Balhoff 2015;Molins 2015;Steefel et al 2015;Yoon et al 2015, all in this volume).…”

Section: Introductionmentioning

confidence: 99%

Resolving Time-dependent Evolution of Pore-Scale Structure, Permeability and Reactivity using X-ray Microtomography

Noiriel

2015

Reviews in Mineralogy and Geochemistry

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Mesoscale and Hybrid Models of Fluid Flow and Solute Transport

Cited by 51 publications

References 145 publications

Eulerian network modeling of longitudinal dispersion

Eulerian network modeling of longitudinal dispersion

Continuum-based models and concepts for the transport of nanoparticles in saturated porous media: A state-of-the-science review

Resolving Time-dependent Evolution of Pore-Scale Structure, Permeability and Reactivity using X-ray Microtomography

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