Assessing dual continuum method for multicomponent reactive transport

Iraola, Aitor; Trinchero, Paolo; Karra, Satish; Molinero, Jorge

doi:10.1016/j.cageo.2019.05.007

Cited by 16 publications

(4 citation statements)

References 21 publications

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“…It was observed that a model with only two continua cannot reproduce the exchange and movement of oxygen within the matrix, greatly reducing pyrite oxidation in the overburden. Similar drawbacks when characterizing the chemical component of a fractured system using the dual continuum approach were reported by Lichtner (2000) and Iraola et al (2019). Both studies revealed under-representations of kinetic reactions with short equilibrium length scales, as well as numerical instabilities due to the lack of chemical and flow gradients within the matrix.…”

Section: Discussionsupporting

confidence: 62%

Ein multiples interaktives Kontinuumsmodell (MINC) zur Simulation des reaktiven Stofftransports in einem Bergbaufolgegebiet: Eine Fallstudie über das Ibbenbürener Westfeld

et al. 2023

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We tested the suitability of the multiple interactive continua approach (MINC) to simulate reactive mass transport in a disturbed post-mining coal zone. To the authors’ knowledge, this approach has not been employed in such mining settings despite its relative success in other environmental fields. To this end, TOUGHREACT software was used to set up a MINC model of the unsaturated overburden of the Ibbenbüren Westfield. With it, we examined and evaluated water–rock interactions in both the fractured and porous continua as the main driver of elevated hydrogen, iron, sulfate, and chloride concentrations in the coal mine groundwater. Long and seasonal geochemical signatures were obtained by formulating and applying a five-stage modelling process that depicts the mining history of the area. The simulation results agree well with the concentrations and discharge trends measured in the mine drainage. Oxygen and meteoric water flow through the fractured continuum, leading to a high and steady release of hydrogen, iron, and sulfate ions derived from pyrite oxidation in the matrix continua closest to the fractures. Likewise, high chloride concentrations resulted from the mixing and gradual release of relatively immobile solutes in the matrix as they interacted with percolating water in the fracture. In both cases, the use of a multiple continua approach was essential to resolve sharp gradients for advection and faster kinetic reactions, while reducing the model’s dependence on block size for diffusive transport at the fracture–matrix interface. The model further allows for the calculation and analysis of solute exchange and transport in the unsaturated overburden resulting from rebound and imbibition processes, something pioneering when compared to other models in the field.

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Section: Discussionsupporting

confidence: 62%

Ein multiples interaktives Kontinuumsmodell (MINC) zur Simulation des reaktiven Stofftransports in einem Bergbaufolgegebiet: Eine Fallstudie über das Ibbenbürener Westfeld

et al. 2023

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“…In fractured aquifers, fractures represent the preferential flow and transport pathways and are typically connected to form a network. Fracture intersections are most often referred to as junctions and solid matrixes between fractures are typically characterized by lower transmissivity yet higher storage capacity compared to open fractures [20][21][22][23]. Contaminant behavior in such systems is governed by a range of fate and transport mechanisms (e.g., advection, hydrodynamic dispersion, matrix diffusion, decay, and deposition) [21,24].…”

Section: Introductionmentioning

confidence: 99%

Analytically Enhanced Random Walk Approach for Rapid Concentration Mapping in Fractured Aquifers

Yosri,

Ghaith,

Ahmed

et al. 2024

Water

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The efficient management and remediation of contaminated fractured aquifers necessitate an accurate prediction of the spatial distribution of contaminant concentration within the system. Related existing analytical solutions are only applicable to single fractures and have not yet been extrapolated to the aquifer scale where a network of connected fractures exists. The Random Walk Particle Tracking (RWPT) method has been extensively adopted for concentration mapping in Discrete Fracture Networks (DFNs), albeit at exorbitant computational costs and without efficiently accommodating complex physical processes (e.g., two-site kinetics). This study introduces an analytically enhanced Spatiotemporal Random Walk (STRW) approach that facilitates the efficient time-dependent mapping of contaminant concentration in DFNs. The STRW approach employs a distribution function to simultaneously estimate the displacement of particles released through the system either instantaneously or over time. The STRW approach efficiently reproduced the contaminant concentration, calculated using available analytical solutions under a range of fate and transport mechanisms. The efficacy of the STRW approach is also confirmed in a synthetic impermeable DFN through replicating the concentration maps produced using the RWPT method. The developed approach represents an accurate and computationally efficient dynamic concentration mapping technique that can support the effective operation, management, and remediation of fractured aquifers under contamination events.

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“…However, solving MRMT for general reactive transport including kinetics cannot take advantage of the above "tricks". It needs to be solved in the way in Figure 1b by using general purpose codes, such as PFLOTRAN (Lichtner et al, 2015;Hammond et al, 2014;Iraola et al, 2019), OpenGeoSys (Olaf O. Kolditz et al, 2012;Bilke et al, 2019), PHREEQC (Parkhurst & Appelo, 2013), CrunchFlow (Steefel et al, 2015;Beisman et al, 2015), CHEPROO (Bea et al, 2009), Retraso (Saaltink et al, 2004) and PHT3D (Prommer et al, 2001;Prommer et al, 2003;Steefel et al, 2015), which is costly.…”

Section: Introductionmentioning

confidence: 99%

A general and efficient numerical solution of reactive transport with multirate mass transfer

Wang

Carrera

Saaltink

et al. 2022

Computers & Geosciences

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Assessing dual continuum method for multicomponent reactive transport

Cited by 16 publications

References 21 publications

Ein multiples interaktives Kontinuumsmodell (MINC) zur Simulation des reaktiven Stofftransports in einem Bergbaufolgegebiet: Eine Fallstudie über das Ibbenbürener Westfeld

Ein multiples interaktives Kontinuumsmodell (MINC) zur Simulation des reaktiven Stofftransports in einem Bergbaufolgegebiet: Eine Fallstudie über das Ibbenbürener Westfeld

Analytically Enhanced Random Walk Approach for Rapid Concentration Mapping in Fractured Aquifers

A general and efficient numerical solution of reactive transport with multirate mass transfer

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