Modeling coupled nanoparticle aggregation and transport in porous media: A Lagrangian approach

Taghavy, Amir; Pennell, Kurt D.; Abriola, Linda M.

doi:10.1016/j.jconhyd.2014.10.012

Cited by 28 publications

(22 citation statements)

References 22 publications

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“…Aggregation (or agglomeration) is the most frequentlyreported process across all NP types followed by straining, blocking, ripening, size exclusion, reversible deposition, and irreversible deposition, respectively. Despite this, aggregation and size exclusion in porous media have been widely neglected in continuum modeling studies of NP transport [21,34], at least in comparison with straining [71,92,110,111,[122][123][124][125][126][127][128][129][130][131][132][133][134][135][136][137], blocking [71,102,123,124,127,128,130,131,135,138] and ripening [105-107, 110, 111] effects.…”

Section: Methodsmentioning

confidence: 99%

“…A N U S C R I P T 7 exclude the particle tracking analysis (generally Lagrangian methods) [34,57], since they consider particles as a separate constituent from the fluid phase. It should be noted that commonly "continuum" terminology has been used to designate a range of larger spatial scales of the model domain (>>1 cm) in contrast to micro/pore-scale models (1-100 m) [87].…”

Section: A C C E P T E D Mmentioning

confidence: 99%

“…These models accommodate different types of data based on number concentration [e.g., 21,92,[98][99][100] or mass concentration [e.g., 100,101,102]. They can be modified to transform the data internally [21,34]. They can therefore be calibrated and validated against a wide variety of available data types obtained from various laboratory experiments or realistic field measurements [21,96,97,103].…”

Section: A C C E P T E D Mmentioning

confidence: 99%

“…The relative significance of these processes for NP may differ from that of larger colloids. For instance, aggregation is potentially one of the most important phenomena that can occur for NP transported in porous media [21,33,34]. Depending on the scale of the assessment and the required resolution/precision of the outcomes, modeling tools deployed for assessing the behaviors of NP in porous media may be categorized in three major groups: 1) abstract models; 2) mechanistic models; and 3) continuum-scale models [30, 35-A C C E P T E D M A N U S C R I P T 6 37].…”

Section: Introductionmentioning

confidence: 99%

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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

144

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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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Section: Methodsmentioning

confidence: 99%

Section: A C C E P T E D Mmentioning

confidence: 99%

Section: A C C E P T E D Mmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

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

144

View full text Add to dashboard Cite

show abstract

“…Micropores in clay particles could have trapped nanoparticles and lead to irreversible loss of nanoparticles. Aggregation could also affect particle transport through porous media [15,16] but previous study showed that PMUA nanoparticles did not coagulate or change in particle size regardless of the ionic strength or the presence of cations [8], therefore this should not have been the cause of particle loss in this study. Flow rate is another factor that influences particle mobility in porous media.…”

Section: Column Experimentsmentioning

confidence: 84%

Mobility of Polyethylene Glycol-Modified Urethane Acrylate (PMUA) Nanoparticles in Soils

et al. 2020

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Engineered nanoparticles (ENPs) have been reported for their potential to enhance in situ soil remediation due to their size and stability in water. These properties allow them to pass through soils with minimal loss in soil flushing or pump-and-treat process. The success of nanoparticle-facilitated soil flushing depends on the mobility of nanoparticles in the soil matrix. However, organic carbon content and soil texture can affect the mobility of nanoparticles in soils. This study compared the mobility of polyethylene glycol-modified urethane acrylate (PMUA) nanoparticles in three types of soils with varying organic contents. The results of two consecutive injection experiments showed that the recovery of injected nanoparticles through a soil column were 91 and 97% for sandy soil with carbon content of 0.01%, 81 and 85% for clay loam soil with organic carbon content of 1.20% and 67 and 73% for clay soil with organic carbon content of 3.25%. Furthermore, the batch experiments showed that the distribution coefficient (Kd) of PMUA nanoparticles between water and sandy soil, clay loam soil, and clay soil were 1.86, 2.34 and 3.01 mL/g, respectively. This conforms to the column experiment results and confirms that the increase in organic carbon content in soils increases the adsorption of PMUA nanoparticles, and therefore decreases the mobility of the nanoparticles through soils. Moreover, the distribution coefficient from batch experiments could be used to predict the mobility of PMUA nanoparticles in soils, and the viability of in situ PMUA-facilitated soil flushing method for specific contaminated soils.

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Mechanistic, Mechanistic-Based Empirical, and Continuum-Based Concepts and Models for the Transport of Polyelectrolyte-Modified Nanoscale Zerovalent Iron (NZVI) in Saturated Porous Media

Phenrat

Babakhani

Bridge

et al. 2019

Nanoscale Zerovalent Iron Particles for Environmental Restoration

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Modeling coupled nanoparticle aggregation and transport in porous media: A Lagrangian approach

Cited by 28 publications

References 22 publications

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

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

Mobility of Polyethylene Glycol-Modified Urethane Acrylate (PMUA) Nanoparticles in Soils

Mechanistic, Mechanistic-Based Empirical, and Continuum-Based Concepts and Models for the Transport of Polyelectrolyte-Modified Nanoscale Zerovalent Iron (NZVI) in Saturated Porous Media

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