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Results for “Electrokinetics”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Electrokinetic Phenomena Enhanced Lithium-Ion Transport in Leaky Film for Stable Lithium Metal Anodes

The application of lithium (Li) metal anodes in Li metal batteries has been hindered by growth of Li dendrite which leads to short cycling life. Here a Li-ion-affinity leaky film as a protection layer is reported to promote a dendrite-free Li metal anode. The leaky film induces electrokinetic phenomena to enhance Li-ion transport, leading to a reduced Li-ion concentration polarization and homogenous Li-ion distribution. As a result, the dendrite-free Li metal anode during Li plating/stripping is demonstrated even at an extremely high deposition capacity (6 mA h cm -2 ) and current density (40 mA cm -2 ) with improved Coulombic efficiencies. A full-cell battery with the leaky-film protected Li metal as anode and high-areal-capacity LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM-811) (~4.2 mA h cm -2 ) or LiFePO 4 (~3.8 mA h cm -2 ) as cathode shows improved cycling stability and capacity retention, even at lean electrolyte conditions.

25 ENERGY STORAGE↗
DOE OSTI2019

Liquid Crystals-Enabled AC Electrokinetics

Phenomena of electrically driven fluid flows, known as electro-osmosis, and particle transport in a liquid electrolyte, known as electrophoresis, collectively form a subject of electrokinetics. Electrokinetics shows a great potential in microscopic manipulation of matter for various scientific and technological applications. Electrokinetics is usually studied for isotropic electrolytes. Recently it has been demonstrated that replacement of an isotropic electrolyte with an anisotropic, or liquid crystal (LC), electrolyte, brings about entirely new mechanisms of spatial charge formation and electrokinetic effects. This review presents the main features of liquid crystal-enabled electrokinetics (LCEK) rooted in the field-assisted separation of electric charges at deformations of the director that describes local molecular orientation of the LC. Since the electric field separates the charges and then drives the charges, the resulting electro-osmotic and electrophoretic velocities grow as the square of the applied electric field. We describe a number of related phenomena, such as alternating current (AC) LC-enabled electrophoresis of colloidal solid particles and fluid droplets in uniform and spatially-patterned LCs, swarming of colloids guided by photoactivated surface patterns, control of LCEK polarity through the material properties of the LC electrolyte, LCEK-assisted mixing at microscale, separation and sorting of small particles. LC-enabled electrokinetics brings a new dimension to our ability to manipulate dynamics of matter at small scales and holds a major promise for future technologies of microfluidics, pumping, mixing, sensing, and diagnostics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Polymer-iron oxide hybrid films for controlling electrokinetic properties

Electrokinetic phenomena at polymer-water interfaces are central to technologies for water purification, ion separations, and energy conversion, yet the ability to systematically control polymer surface charge and associated electrokinetic processes remains limited. Here, we demonstrate a simple liquid-phase infiltration (LPI) method to synthesize polymer–metal oxide hybrid films with controllable interfacial properties. Hydroxy-terminated poly(2-vinylpyridine) (P2VP-OH) brushes grafted to silicon substrates were infiltrated with iron nitrate from ethanolic solution, followed by low-temperature thermal treatment to convert the infiltrated precursor into iron oxide. Spectroscopic ellipsometry, X-ray photoelectron spectroscopy, and thermogravimetric analysis confirmed oxide incorporation and hybrid film formation without polymer degradation. Electrokinetic measurements reveal that the hybrid films acquire the electrokinetic properties of the infiltrated oxide, with concentration-dependent streaming potentials and surface conductivities closely matching those of pure iron oxide films. These results establish metal oxide infiltration as a scalable and low-cost strategy for controlling interfacial charge in polymer surfaces. The approach introduces new materials and design parameters for tailoring ion selectivity, transport, and energy conversion, with broad implications for the development of advanced membranes, electrokinetic harvesting devices, and polymer-supported oxide electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Pore-Scale Modeling of Electrokinetics in Geomaterials

Pore-scale finite-volume continuum models of electrokinetic processes are used to predict the Debye lengths, velocity, and potential profiles for two-dimensional arrays of circles, ellipses and squares with different orientations. The pore-scale continuum model solves the coupled Navier–Stokes, Poisson, and Nernst–Planck equations to characterize the electro-osmotic pressure and streaming potentials developed on the application of an external voltage and pressure difference, respectively. Here, this model is used to predict the macroscale permeabilities of geomaterials via the widely used Carmen–Kozeny equation and through the electrokinetic coupling coefficients. The permeability results for a two-dimensional X-ray tomography-derived sand microstructure are within the same order of magnitude as the experimentally calculated values. The effect of the particle aspect ratio and orientation on the electrokinetic coupling coefficients and subsequently the electrical and hydraulic tortuosity of the porous media has been determined. These calculations suggest a highly tortuous geomaterial can be efficient for applications like decontamination and desalination.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Chiral Electrokinetic Phenomena in Single Nanopores

Abstract The arrangement of solvent molecules and ions at solid–liquid interfaces determines electrochemical properties that are important in separations platforms, sensing technologies, and energy‐storage systems. Here we show that single glass and polymer pores in contact with propylene carbonate (PC) solutions of LiClO 4 exhibit an effective surface potential that is modulated by the enantiomeric excess of the solvent. In particular, electrochemical and electrokinetic measurements of ionic transport through glass pipettes and polymer pores reveal that the effective surface potential is significantly lower in solutions prepared using enantiomerically pure PC than in solutions prepared using racemic PC. Both pore systems became positively charged in all racemic solutions examined in the range of LiClO 4 concentrations between 1 mM and 100 mM, whereas solutions in ( R )‐(+)‐PC induced a positive surface potential only at concentrations above ~5 mM. The effective surface potential is quantified through asymmetry in current–voltage curves and zeta‐potential measurements. Vibrational sum‐frequency‐generation experiments on LiClO 4 solutions in racemic and enantiomerically pure PC indicate that the surface lipid‐bilayer‐like region in the former is more strongly organized than in the latter, dictating the favorable positions for lithium and perchlorate ions in each case. The more ordered molecular packing in the racemic liquid leads to accumulation of lithium ions on the outside of the bilayer, creating a higher effective positive charge. Our results highlight the extreme sensitivity of the interfacial potential on molecular organization of the solvent, and the relatively unexplored role that chirality can play in electrokinetic phenomena.

Alanis, Kristen↗
DOE OSTI2019

Eigenvalue Uncoupling of Electrokinetic Flows

We present an approach to uncoupling the pair of transient governing equations used in electrokinetics (i.e., streaming potential and electroosmosis). This approach allows for the solution of two uncoupled "intermediate" equations, then the physical solution is found by recombination of these intermediate potentials through a matrix multiplication. We present numerically stable expressions for the coefficients, and an example showing electrokinetics arising from pumping a fully penetrating well in a confined aquifer, surrounded by insulating aquicludes. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. (SAND2019-8712 A)

Kuhlman, Kristopher L↗
DOE OSTI2019

Electrokinetic energy conversion in nanochannels grafted with pH-responsive polyelectrolyte brushes modelled using augmented strong stretching theory

Here, we develop a theory to quantify the electrokinetic energy conversion in electrolyte-filled nanochannels grafted with pH-responsive polyelectrolyte (PE) brushes. A pressure-driven flow drives the mobile electrolyte ions of the electric double layer (EDL) supported by the charged PE brushes leading to the generation of a streaming current, a streaming electric field and eventually an electrical energy. The salient feature of this study is that the brushes are described using our recently developed augmented Strong Stretching Theory (SST) model. In all the previous theoretical studies on liquid transport in PE-brush-grafted nanochannels, the brushes have either been assumed to be of constant height (independent of salt concentration or pH) or modelled using the Alexander–de-Gennes model that considers uniform monomer distribution along the brush height. Such simplifications have meant that the salt and the pH dependence of the brush height, the monomer distribution, and the resulting electrostatics have not been appropriately accounted for in the transport calculations. This paper addresses these limitations and provides a much more detailed description of the brushes while capturing the corresponding electrokinetic energy conversion. The findings establish that the presence of the PE brushes ensures a localization of the average EDL charge density away from the grafting surface, thereby enabling the migration of the EDL ions with a larger background flow velocity; as a consequence, there is an enhancement of the streaming current, streaming electric field, and the resulting electrical energy generation under certain grafting densities of the PE brushes.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2022

Electrokinetic separation techniques for studying nano- and microplastics

This perspective focuses on electrokinetic methods for separating the smallest microplastics (<10 μm) on the basis of charge. Advantages, limitations, and future research opportunities regarding electrokinetic separation methods are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Characterization and Sampling of Ultralow Permeability Geomaterials using Electrokinetics (LDRD Final Report 209234)

This final report on Laboratory Directed Research and Development (LDRD) project 209234 presents background material for electrokinetics at the pore and porous media scales. We present some theoretical developments related to uncoupling electrokinetic flow solutions, from a manuscript recently accepted into Mathematical Geosciences for publication. We present a summary of two pore-scale modeling efforts undertaken as part of the academic alliance with University of Illinois, resulting in one already submitted journal publication to Transport in Porous Media and another in preparation for submission to a journal. We finally show the laboratory apparatus built in Laboratory B59 in Building 823 and discuss some of the issues that occurred with it.

58 GEOSCIENCES↗
DOE OSTI2024

Electrokinetic Rare Earth Element Purification

I, Kyle McCarthy, am traveling to Boston, MA for the Materials Research Society conference. At the conference, I will give an oral presentation on research findings from Energy and Homeland Security LDRD "A New, Green Approach to Rare Earth Element (REE) Purification Based on Electrokinetics." in talk titled "Electrokinetic Rare Earth Element Purification." I will also attend other live presentations and conduct professional networking. This fits within Sandia's energy security mission.

McCarthy, Kyle Patrick [Sandia National Laboratori↗
DOE OSTI2025

Electrokinetically Driven Rare Earth Element Separation by Coated Capillary Arrays

I, Kyle McCarthy, am traveling to Austin, TX for the TechConnect World Innovation conference. At the conference, I will give an poster presentation on research findings from Energy and Homeland Security LDRD "A New, Green Approach to Rare Earth Element (REE) Purification Based on Electrokinetics." titled "Electrokinetically Driven Rare Earth Element Separation..." I will also attend other live presentations and conduct professional networking. This fits within Sandia's energy security mission.

Merrill, Laura Christine [Sandia National Laborato↗
DOE OSTI2025

Electrokinetically Enhanced Rare Earth Element Separation through Polymer Coated Capillary Arrays

I, Kyle McCarthy, will give an oral presentation on research findings from Energy and Homeland Security LDRD "A New, Green Approach to Rare Earth Element (REE) Purification Based on Electrokinetics." in talk titled "Electrokinetically Enhanced Rare Earth Element Separation through Polymer Coated Capillary Arrays." at the upcoming Sandia postdoc technical showcase. I will also attend other live presentations and conduct professional networking. This fits within Sandia's energy security mission.

McCarthy, Kyle Patrick [Sandia National Laboratori↗
DOE OSTI2019

Thermally driven electrokinetic energy conversion with liquid water microjects

Embodiments relate to materials, methods to prepare, and methods of use of a thermal electrokinetic microjet apparatus. The electrokinetic microjet apparatus includes a reservoir; a jet assembly fluidly communicating with at least the reservoir; and a target electrode spaced from at least the jet assembly.

Saykally, Richard J.↗
DOE OSTI2020

Molecular dynamics and continuum analyses of the electrokinetic zeta potential in nanostructured slit channels

This work presents a theoretical and numerical study of electrokinetic flow and the zeta potential for the case of slit channels with nanoscale surface features of dimensions comparable to the Debye length, by employing molecular dynamics simulations and continuum-level analyses. Additionally, a simple analytical model for considering the average effect of such surface features producing nanoscale roughness is proposed by employing matched asymptotic solutions for the charge density and fluid flow field, and matching conditions that satisfy electroneutrality and the Onsager reciprocal relation between the electroosmotic flow rate and streaming current. The proposed analytical model quantitatively accounts for results from molecular dynamics simulations that consider the presence of ion solvation shells and surface hydration layers. Our analysis indicates that a simultaneous knowledge of the electroosmotic and pressure-driven flow rate or streaming current can be instrumental to unambiguously determine the zeta potential in the presence of nanoscale surface features.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Electrokinetic comparison of CaF 2 and AgCl from a MDS perspective

CaF 2 has limited electrokinetic sensitivity to fluoride ions in solution and the positive CaF 2 surface charge is not reversed at high fluoride ion concentration. Similar insensitivity of surface charge to high fluoride ion concentration has been observed for other alkali and alkaline earth fluoride salts. On the contrary, chloride ions act as potential determining ions for AgCl and reverse the surface charge, as expected. FTIR-IRS results indicate that the AgCl/water interface has a water structure-breaking tendency, whereas the CaF 2 /water interface has a structure-making tendency. Here, it is speculated that the strong hydrogen bonding between fluoride ions and water prevents the accommodation of excess fluoride ions at surface lattice sites of fluorite, and therefore explains the low sensitivity of the fluorite surface charge sign and magnitude to fluoride ion concentration. However, this speculation has not been examined at the molecular level and is evaluated by molecular dynamics simulations (MDS) in the research presented in this paper. Higher hydrogen bond density at the CaF 2 mineral/water interface confirms that the water structure has stronger hydrogen bonding at both the CaF 2 mineral surface and with the F - ion in solution. In this way, the interaction of the F - ion with the CaF 2 surface is inhibited.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Uncoupling Electrokinetic Flow Solutions

The continuum-scale electrokinetic porous-media flow and excess charge redistribution equations are uncoupled using eigenvalue decomposition. The uncoupling results in a pair of independent diffusion equations for “intermediate” potentials subject to modified material properties and boundary conditions. The fluid pressure and electrostatic potential are then found by recombining the solutions to the two intermediate uncoupled problems in a matrix-vector multiplication. Expressions for the material properties or source terms in the intermediate uncoupled problem may require extended precision or careful rewriting to avoid numerical cancellation, but the solutions themselves can typically be computed in double precision. The approach works with analytical or gridded numerical solutions and is illustrated through two examples. The solution for flow to a pumping well is manipulated to predict streaming potential and electroosmosis, and a periodic one-dimensional analytical solution is derived and used to predict electroosmosis and streaming potential in a laboratory flow cell subjected to low frequency alternating current and pressure excitation. The examples illustrate the utility of the eigenvalue decoupling approach, repurposing existing analytical solutions or numerical models and leveraging solutions that are simpler to derive for coupled physics.

58 GEOSCIENCES↗
DOE OSTI2018

Stable metal battery anodes enabled by polyethylenimine sponge hosts by way of electrokinetic effects

The cycle life and energy density of rechargeable metal batteries are largely limited by the dendritic growth of their metal anodes (lithium, sodium or zinc). Here we develop a three-dimensional cross-linked polyethylenimine lithium-ion-affinity sponge as the lithium metal anode host to mitigate the problem. We show that electrokinetic surface conduction and electro-osmosis within the high-zeta-potential sponge change the concentration and current density profiles, which enables dendrite-free plating/stripping of lithium with a high Coulombic efficiency at high deposition capacities and current densities, even at low temperatures. The use of a lithium-hosting sponge leads to a significantly improved cycling stability of lithium metal batteries with a limited amount of lithium (for example, the areal lithium ratio of negative to positive electrodes is 0.6) at a commercial-level areal capacity. We also observed dendrite-free morphology in sodium and zinc anodes, which indicates a broader promise of this approach.

25 ENERGY STORAGE↗
DOE OSTI2018

Electrokinetic flow of an aqueous electrolyte in amorphous silica nanotubes

Here, we study the pressure-driven flow of aqueous NaCl in amorphous silica nanotubes using nonequilibrium molecular dynamics simulations featuring both polarizable and non-polarizable molecular models. Different pressures, electrolyte concentrations and pore sizes are examined. Our results indicate a flow that deviates considerably from the predictions of Poiseuille fluid mechanics. Due to preferential adsorption of the different ionic species by surface SiO– or SiOH groups, we find that a significant electric current is generated, but with opposite polarities using polarizable vs. fixed charge models for water and ions, emphasizing the need for careful parameterization in such complex systems. We also examine the influence of partial deprotonation of the silica surface, and we find that much more current is generated in a dehydrogenated nanopore, even though the overall efficiency remains low. These findings indicate that different methods of nanopore preparation, which can produce a range of surface properties, should be examined more closely in the related experimental methods to generate electrokinetic current.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗