Mesoscale Particle-Based Model of Electrophoresis

Giera, Brian; Zepeda-Ruiz, Luis A.; Pascall, Andrew J.; Kuntz, Joshua D.; Spadaccini, Christopher M.; Weisgraber, Todd H.

doi:10.1149/2.0161511jes

Cited by 11 publications

(10 citation statements)

References 43 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…which defines the dimensionless ratio of the electrophoretic velocity and bulk diffusivity colloids . 36 Thus, larger Pećlet values correspond to greater driving forces due to the electric field. We simulate a set of colloidal suspensions characterized by six Pe = {26.5, 53, 107, 214, 429, 858}, each with six distinct λ D = {1.5625, 3.125, 6.25, 12.5, 25, 50} nm as listed in the Supporting Information.…”

Section: Resultsmentioning

confidence: 99%

Mesoscale Particle-Based Model of Electrophoretic Deposition

et al. 2017

Self Cite

View full text Add to dashboard Cite

We present and evaluate a semiempirical particle-based model of electrophoretic deposition using extensive mesoscale simulations. We analyze particle configurations in order to observe how colloids accumulate at the electrode and arrange into deposits. In agreement with existing continuum models, the thickness of the deposit increases linearly in time during deposition. Resulting colloidal deposits exhibit a transition between highly ordered and bulk disordered regions that can give rise to an appreciable density gradient under certain simulated conditions. The overall volume fraction increases and falls within a narrow range as the driving force due to the electric field increases and repulsive intercolloidal interactions decrease. We postulate ordering and stacking within the initial layer(s) dramatically impacts the microstructure of the deposits. We find a combination of parameters, i.e., electric field and suspension properties, whose interplay enhances colloidal ordering beyond the commonly known approach of only reducing the driving force.

show abstract

Section: Resultsmentioning

confidence: 99%

Mesoscale Particle-Based Model of Electrophoretic Deposition

et al. 2017

Self Cite

View full text Add to dashboard Cite

show abstract

“…At the finest level of resolution, fluid, ions, and particles are simulated by Lagrangian approaches. These explicit solvent methods [37] typically apply coarse-grained molecular dynamics (MD) models to describe the motion of fluid molecules and incorporate Brownian motion [38]. The mesoscale dissipative particle dynamics method is applied in [39] to simulate electrophoresis of a polyelectrolyte in a nanochannel.…”

Section: Related Workmentioning

confidence: 99%

“…Moreover, the resolution of solvent, macromolecules, and ions on the same scale limits the maximal problem sizes that can be simulated [41]. Also the mapping of measurable properties from colloidal suspensions to these particle-based methods is problematic [37]. The high computational effort is significantly reduced in implicit particle-based methods that incorporate hydrodynamic interactions into the inter-particle forces.…”

Section: Related Workmentioning

confidence: 99%

“…The high computational effort is significantly reduced in implicit particle-based methods that incorporate hydrodynamic interactions into the inter-particle forces. Such methods are applied in [37] and [42] to simulate electrophoretic deposition under consideration of Brownian motion and van der Waals forces. Nevertheless, these methods are restricted to few particle shapes and hydrodynamic interactions in Stokes flow.Euler-Lagrange methods constitute the intermediate level of resolution.…”

mentioning

confidence: 99%

See 1 more Smart Citation

A scalable multiphysics algorithm for massively parallel direct numerical simulations of electrophoretic motion

Bartuschat¹,

Rüde²

2018

Journal of Computational Science

View full text Add to dashboard Cite

In this article we introduce a novel coupled algorithm for massively parallel direct numerical simulations of electrophoresis in microfluidic flows. This multiphysics algorithm employs an Eulerian description of fluid and ions, combined with a Lagrangian representation of moving charged particles. The fixed grid facilitates efficient solvers and the employed lattice Boltzmann method can efficiently handle complex geometries. Validation experiments with more than 70 000 time steps are presented, together with scaling experiments with over 4 · 10 6 particles and 1.96 · 10 11 grid cells for both hydrodynamics and electric potential. We achieve excellent performance and scaling on up to 65 536 cores of a current supercomputer.At the finest level of resolution, fluid, ions, and particles are simulated by Lagrangian approaches. These explicit solvent methods [37] typically apply coarse-grained molecular dynamics (MD) models to describe the motion of fluid molecules and incorporate Brownian motion [38]. The mesoscale dissipative particle dynamics method is applied in [39] to simulate electrophoresis of a polyelectrolyte in a nanochannel. Another explicit solvent method is presented in [40] for simulating DNA electrophoresis, modeling DNA as a polymer. In both methods the polymer is represented by bead-spring chains with beads represented by a truncated Lennard-Jones potential and connected by elastic spring potentials. Explicit solvent models, however, are computationally very expensive, especially for large numbers of fluid molecules due to pairwise interactions [40]. Moreover, the resolution of solvent, macromolecules, and ions on the same scale limits the maximal problem sizes that can be simulated [41]. Also the mapping of measurable properties from colloidal suspensions to these particle-based methods is problematic [37]. The high computational effort is significantly reduced in implicit particle-based methods that incorporate hydrodynamic interactions into the inter-particle forces. Such methods are applied in [37] and [42] to simulate electrophoretic deposition under consideration of Brownian motion and van der Waals forces. Nevertheless, these methods are restricted to few particle shapes and hydrodynamic interactions in Stokes flow.Euler-Lagrange methods constitute the intermediate level of resolution. These approaches employ Eulerian methods to simulate the fluid phase, whereas the motion of individual particles is described by Newtonian mechanics. For simulations of particles in steady-state motion, the resolved particles can be modeled as fixed while the moving fluid is modeled by an Eulerian approach. In [43] the finite volume method is applied to simulate electrophoresis of up to two stagnant toroids in a moving fluid, employing the Hückel approximation for a fixed ζ-potential and different electrical double layer thicknesses. The steady-state electrophoretic motion of particles with low surface potentials under a weak applied electric field in a charged cylindrical pore is simulated in [44] for a single c...

show abstract

“…The settling rate (V s ) can be expressed by the Stokes law [122] , as shown in Eq.5.3. And the electrophoretic mobility (μ e ) is related to the zeta potential by the Henry Equation [123] (Eq.5.4). (Smoluchowski approximation) [124] Combining with Eq.5.3 and 5.4, Eq.5.5 can be obtained:…”

Section: Epd Of Cnfs 1) Zeta Potentialmentioning

confidence: 99%

Preparation of SiCNFs Composite Anode by Electrophoretic Deposition (EPD)

Ye¹

View full text Add to dashboard Cite

Preparation of Si/CNFs Composite Anode by Electrophoretic Deposition (EPD) Meng Yao Recently, lithium ion batteries (LIBs) have been widely used in the field of portable electronic devices and electric vehicles due to high adaptability, high working voltage and low toxicity. However, traditional electrode materials have greatly limited the future of LIBs because of their low theoretical specific capacities; meanwhile, new electrode materials always need to be prepared by complicated and expensive methods, indicating the small probability of large-scale promotion. In this study, the Si/CNFs composite film anode without any binder by a simple and effective method-electrophoretic deposition (EPD)-is developed, which exhibits improved electrochemical properties. This thesis is firstly focused on building a metastable/stable system for the multicomponent (Si/CNFs) EPD. It's observed that in the basic condition (pH9-10) or acidic condition (pH0.5), a suspension in ethanol consisting of surface-modified Si and CNFs can approximately keep stable for at least 0.5h, which can meet the minimum requirements for a successful deposition. Based on the dynamics analysis, a new "three-step growth theory" on the deposition process is proposed.

show abstract

Mesoscale Particle-Based Model of Electrophoresis

Cited by 11 publications

References 43 publications

Mesoscale Particle-Based Model of Electrophoretic Deposition

Mesoscale Particle-Based Model of Electrophoretic Deposition

A scalable multiphysics algorithm for massively parallel direct numerical simulations of electrophoretic motion

Preparation of SiCNFs Composite Anode by Electrophoretic Deposition (EPD)

Contact Info

Product

Resources

About