How colloid–colloid interactions and hydrodynamic effects influence the percolation threshold: A simulation study in alumina suspensions

Laganapan, Aleena Maria; Mouas, Mohamed; Videcoq, Arnaud; Cerbelaud, Manuella; Bienia, Marguerite; Bowen, Paul; Ferrando, Riccardo

doi:10.1016/j.jcis.2015.07.058

Cited by 14 publications

(5 citation statements)

References 44 publications

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“…In contrast, a large d was found to lead to greater retention under conditions of strong E c–c attraction since the retained colloids acted as new retention sites for subsequent colloids in suspension . Strong E c–c attraction can also facilitate colloid aggregation, further enhancing retention . Additionally, a larger d not only extends the transport distance for colloids but also affects local colloid concentrations, which in turn influences subsequent colloid transport .…”

Section: Resultsmentioning

confidence: 94%

“…Previous research has highlighted the significance of these factors in microporous media. ,,− For example, in column experiments, a decline in the retention rate was observed with an increase in d under intermediate E c–c conditions. However, the influence of d on colloid retention proved minimal under extreme E c–c repulsion or attraction conditions .…”

Section: Resultsmentioning

confidence: 98%

“…123 Strong E c−c attraction can also facilitate colloid aggregation, further enhancing retention. 124 Additionally, a larger d not only extends the transport distance for colloids but also affects local colloid concentrations, which in turn influences subsequent colloid transport. 121 These findings highlight the complex interplay among various factors, emphasizing the importance of understanding their combined effects on colloid behavior.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

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Colloid Transport in Bicontinuous Nanoporous Media

Liang,

Liu,

Branicio

2024

Langmuir

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Colloid transport and retention in porous media are critical processes influencing various Earth science applications, from groundwater remediation to enhanced oil recovery. These phenomena become particularly complex in the confined spaces of nanoporous media, where strong boundary layer effects and nanoconfinement significantly alter colloid behavior. In this work, we use particle dynamics models to simulate colloid transport and retention processes in bicontinuous nanoporous (BNP) media under pressure gradients. By utilizing particle-based models, we track the movement of each colloid and elucidate the underlying colloid retention mechanisms. Under unfavorable attachment conditions, the results reveal two colloid retention mechanisms: physical straining and trapping in low-flow zone. Furthermore, we investigate the effects of critical factors including colloid volume fraction, d, pressure difference, ΔP, interaction between colloids and BNP media, E c−p , and among colloids, E c−c , on colloid transport. Analysis of breakthrough curves and colloid displacements demonstrates that higher values of d, lower values of ΔP, and strong E c−p attractions significantly increase colloid retention, which further lead to colloid clogging and jamming. In contrast, E c−c has minimal impact on colloid transport due to the limited colloid− colloid interaction in nanoporous channels. This work provides critical insights into the fundamental factors governing colloid transport and retention within stochastic nanoporous materials.

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Section: Resultsmentioning

confidence: 94%

Section: Resultsmentioning

confidence: 98%

Section: ■ Results and Discussionmentioning

confidence: 99%

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Colloid Transport in Bicontinuous Nanoporous Media

Liang,

Liu,

Branicio

2024

Langmuir

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“…The numerical simulation of particle dynamics is of great interest in the material science research community (Lu, 2008) (Krinninger, 2016), due to the possibility of studying the various properties of soft matter systems such as gels (Zaccarelli, 2007), polymers (Nikunen, 2007) and suspensions (Cerbelaud, 2010). These purely physical methods strongly integrate or may be an alternative to experimental approaches in exploring the timedependent behaviour of silica (Lebdioua, 2020) and alumina (Laganapan, 2015) colloidal systems, giving micro-structural information (e.g. fractal dimension, porosity (Hutter, 2000)) that is not always accessible experimentally, for different sets of chemicalphysical parameters (pH, ionic strength, concentration (Cerbelaud, 2010)) and flow conditions.…”

Section: Contribution Of Brownian-dlvo Model Models and Theorymentioning

confidence: 99%

Simulation of Large Aggregate Particles System With a New Morphological Model

et al. 2021

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For the development of a new porous material such as catalytic carrier, the control of the textural properties is of fundamental importance. In order to move towards rational synthesis, it is necessary to better understand the physical phenomena that generate a defined solid structure. A contribute to this purpose can be achieved by studying the aggregation process inside colloidal suspensions, leading to porosity generation: this phenomenon can be described with a Brownian dynamics model that, for any set of chemical parameters, gives access to the mass distribution and the fractal dimension of colloidal aggregates. However, this model cannot be used for the simulation of large colloidal systems, due to its high computational time, limiting comparison with analytical methods, which probe the whole multi-scale system. This problem is solved by developing a new aggregation morphological model, wherein the fractal dimension is tuned with two compactness parameters. An efficient simulation algorithm is proposed in case of spheres, for which the fractal dimension of the generated aggregates varies between 1.2 and 3. Brownian dynamics results are used to parametrize this purely geometric model, in order to constrain the size and the morphology of the aggregates created. The large numerical solid will be representative of the textural properties of a real solid and will give more information on the porous network. It could be used, for example, to simulate diffusive transport coupled with chemical reaction and to study the impact of the geometry of the porous system on the catalytic performance.

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“…The second class, instead, is represented by particle-based methods, where particles are treated explicitly and the solvent can be described either explicitly or included in the colloid-colloid interaction (implicit). On the one hand, multi-particle collision dynamics (MPCD) [298,299], also known as stochastic rotation dynamics (SRD) [300,301], and dissipative particle dynamics (DPD) [302][303][304] are some examples of particle based techniques with explicit description of the solvent. In particular, dissipative particle dynamics was developed to overtake the computational limit of MD.…”

Section: Mesoscale Simulationsmentioning

confidence: 99%

Thermal transport phenomena in nanoparticle suspensions

Cardellini

Fasano

Bigdeli

et al. 2016

J. Phys.: Condens. Matter

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Nanoparticle suspensions in liquids have received great attention, as they may offer an approach to enhance thermophysical properties of base fluids. A good variety of applications in engineering and biomedicine has been investigated with the aim of exploiting the above potential. However, the multiscale nature of nanosuspensions raises several issues in defining a comprehensive modelling framework, incorporating relevant molecular details and much larger scale phenomena, such as particle aggregation and their dynamics. The objectives of the present topical review is to report and discuss the main heat and mass transport phenomena ruling macroscopic behaviour of nanosuspensions, arising from molecular details. Relevant experimental results are included and properly put in the context of recent observations and theoretical studies, which solved long-standing debates about thermophysical properties enhancement. Major transport phenomena are discussed and in-depth analysis is carried out for highlighting the role of geometrical (nanoparticle shape, size, aggregation, concentration), chemical (pH, surfactants, functionalization) and physical parameters (temperature, density). We finally overview several computational techniques available at different scales with the aim of drawing the attention on the need for truly multiscale predictive models. This may help the development of next-generation nanoparticle suspensions and their rational use in thermal applications.

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How colloid–colloid interactions and hydrodynamic effects influence the percolation threshold: A simulation study in alumina suspensions

Cited by 14 publications

References 44 publications

Colloid Transport in Bicontinuous Nanoporous Media

Colloid Transport in Bicontinuous Nanoporous Media

Simulation of Large Aggregate Particles System With a New Morphological Model

Thermal transport phenomena in nanoparticle suspensions

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