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At least 433 records · Page 24

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DOE OSTI2024

Porous membrane enabled mass spectrometry characterization of microfluidic devices

A system for sampling a liquid includes a sample fluid conduit including a membrane having pores. The membrane prevents the passage of the sample liquid through the pores at a first pressure of the sample liquid in the sample fluid conduit. A surface sampling capture probe has a distal end. The capture probe includes a solvent supply conduit and a solvent exhaust conduit. A solvent composition flowing at the distal end of the capture probe establishes a liquid junction with the membrane and establishes a second pressure within the liquid junction at the membrane. The second pressure is lower than the first pressure. Sample liquid will be drawn through the pores of the membrane by the second pressure at the liquid junction. A method for sampling a liquid and for performing chemical analysis on a liquid are also disclosed.

Cahill, John F.↗

DOE OSTI2023

System and operation for thermochemical renewable energy storage

Systems and methods for energy storage and energy recovery are provided. An electrical-to-electrical energy storage system includes a thermochemical energy storage device, a blower, a compressor, a turbine, and an electrical generator. The TCES device includes a vessel, a porous bed, and a heater. The porous bed is disposed within an interior volume of the vessel. The porous bed comprises a reactive material. The reactive material is configured to release oxygen upon being heated to a reduction temperature, and generate heat when exposed to oxygen. The heater is in thermal contact with the reactive material. The blower is configured to remove oxygen from the interior volume. The compressor is configured to flow oxygen into the interior volume. The turbine is configured to receive a heated, oxygen-depleted gas from the interior volume. The generator is configured to be powered by the turbine to generate electricity.

Klausner, James F.↗

DOE OSTI2024

Thermochemical renewable energy storage

Klausner, James F.↗

DOE OSTI2021

Alumina-based filters made via binder jet 3D printing of alumina powder, colloidal silica infiltration, and sintering

Alumina-based, porous filter media was made via a binder jet 3D printing process consisting of an alumina powder printing step with subsequent heating, colloidal silica infiltration, drying, and sintering to consolidate particles yet retain a net open porous microstructure. The composites made were alumina-silica or alumina-mullite, where the silica sintering aid was used to densify and join the alumina particles. The resulting composite structures had open porosities in the 25–31 vol% range as measured by Archimedes density. Pressure drops were measured across the filter media at constant flow rates to compare disc shapes and complex, 3D printed filters based on the N95 design requirements. Complex, 3D-printed alumina composites were produced with acceptable pressure drops for N95 implementation.

36 MATERIALS SCIENCE↗

DOE OSTI2020

SAM Enhancements and Model Developments for Molten-Salt-Fueled Reactors

To support the development and utilization of the SAM code for molten-salt-fueled reactor (MSR) safety analysis and licensing, an effort was devoted to enhancing code capabilities and developing reference models for the MSR primary loop. A reference standard problem of a prototypical reactor design is foundational to NRC to verify the adequacy of computer codes and evaluation models for a specific reactor type. A thermo-fluid model of the Molten Salt Reactor Experiment (MSRE) has been developed. The MSRE primary loop model consists of a 2-D core region and external core components in 1-D or 0-D. Both the steady-state and a transient scenario are simulated. The porous medium model is utilized for both the molten salt fluid channels and the moderator matrix in the MSRE core. The use of the porous medium model for the MSRE core is verified with the higher-fidelity simulation results using 1-D representations of the fluid channels and 3-D modeling of core structures. To further enhance SAM multi-scale simulation capabilities for MSRs, a mass transport model is developed and implemented in SAM multi-dimension flow module for modeling of species transport such as delayed neutron precursors in MSRs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Chemical redox of lithium-ion solid electroactive material in a packed bed flow reactor

Chemical redox reactions between solid electroactive materials and dissolved electroactive compounds are a necessary component of emerging technologies relevant to renewable energy including high energy density flow batteries and battery material recycling. In this work, an initial investigation of heterogeneous chemical redox for a packed bed reactor configuration between solid electroactive material and dissolved redox shuttles will be described. Experimental conditions including the height of the packed bed, the redox shuttle solution concentration, solution flow rate, and operating temperature were varied and their impact on the molar conversion of the solid electroactive material in the packed bed was quantified using electroanalytical techniques on the reactor effluent. The progression of the reaction and its dependence on the different variables explored will be discussed in the context of the limiting processes for porous packed aggregates of the solid electroactive material undergoing chemical oxidation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Apparatus and methods for sample analysis with multi-gradient microfluidics

A device for analyzing biological samples comprises first, second, third, and fourth layers. The first layer comprises a sample chamber in which a sample is positioned. The second layer comprises first, second, and third channels. A third, porous layer is positioned between the first layer and the second layer. A fourth layer composed of a substantially liquid-impermeable material is positioned between the second layer and the third layer. The fourth layer includes first and second pass-through channels that are aligned with the first and second channel, respectively. Fluids that flow in the first and second channels pass through the pass-through channels and diffuse into the sample chamber, establishing a chemical concentration gradient therein. A gas in the sample chamber can diffuse through the third and fourth layers and interact with a fluid flowing in the third channel, establishing a gas concentration gradient in the sample chamber.

Kim, Peter Wonhee↗

DOE OSTI2025

Integrated Molten Salt Reactor Modeling Capabilities in NEAMS Thermal Hydraulics Tools

The DOE neams program supports a full range of computational thermal fluids analysis capabilities and code developments for a broad range of advanced reactor concepts. The research and development approach under the thermal fluids technical area synergistically combines three length and time scales in a hierarchical multi-scale approach. To enable multi-scale thermal fluids capability using these codes, a key joint effort has been underway to develop an integrated system- and engineering-scale thermal fluids analysis capability, through integration of SAM and Pronghorn codes, both based on the MOOSE framework. This report summarizes recent advances in developing an integrated system- and engineering-scale modeling capability for the msr concept, which has gained significant interest in recent years. A consistent framework was established by coupling Pronghorn and SAM through the Saline interface, with thermophysical properties provided by the Molten Salt Thermal Property Database (MSTDB-TP). Further improvements were made to the coupling schemes and domain-overlapping strategies, enhancing the stability and robustness of multi-code simulations. Verification and validation efforts demonstrate the accuracy of this integration across a range of benchmark problems, including one-dimensional heated pipe flows, three-dimensional natural convection loops with evolving isotopic compositions, and \gls{msre} demonstration cases. Within Pronghorn, new capabilities were introduced to model corrosion and noble-metal plating phenomena, supported by an extended thermal-hydraulics framework and refined turbulence treatments. To capture two-phase flow behavior, a multiphase Euler–Euler model was implemented in Pronghorn, including advanced closure relations, high-resolution advection techniques, and capillary force reconstruction. Preliminary verification cases confirm the fidelity of the approach, while planned validation efforts target canonical multiphase benchmarks and application to msr components such as the msre pump bowl. Finally, updates to SAM’s msr mass transfer modeling were extended to consider noble gas migration into porous structures like graphite. The point kinetics model was updated to include reactivity feedback contributions from any defined species, such as xenon. The gas transport model was expanded for applicability to gas mixtures, bubble efflux phenomena, and species transport between liquid and gas phases. A selection of multi-scale Sherwood number correlations from MOSCATO/NekRS and multi-phase correlations from literature have been added for improved accuracy in calculating mass transfer coefficients. A companion effort on developing system-level redox corrosion has also been incorporated into SAM. Collectively, these enhancements strengthen the predictive capability of SAM and Pronghorn for simulating MSR thermal-hydraulics, corrosion, multiphase behavior, and fission-product transport, providing a more complete toolset for design, safety analysis, and licensing support of next-generation \gls{msr}s.

42 - ENGINEERING↗

DOE OSTI2023

A Comparative Study of Deep Learning Models for Fracture and Pore Space Segmentation in Synthetic Fractured Digital Rocks

This study focuses on the comparative study of deep learning (DL) models for pore space and discrete fracture networks (DFNs) segmentation in synthetic fractured digital rocks, specifically targeting low-permeability rock formations, such as shale and tight sandstones. Accurate characterization of pore space and DFNs is critical for subsequent property analysis and fluid flow modeling. Four DL models, SegNet, U-Net, U-Net-wide, and nested U-Net (i.e., U-Net++), were trained, validated, and tested using synthetic datasets, including input and label image pairs with varying properties. The model performance was assessed regarding pixel-wise metrics, including the F1 score and pixel-wise difference maps. In addition, the physics-based metrics were considered for further analysis, including sample porosity and absolute permeability. Particularly, We first simulated the permeability of porous media containing only pore space and then simulated the permeability of porous media with DFNs added. The difference between these two values is used to quantify the connectivity of segmented DFNs, which is an important parameter for low-permeability rocks. The pixel-wise metrics showed that the nested U-Net model outperformed the rest of the DL models in pore space and DFNs segmentation, with the SegNet model exhibiting the second-best performance. Particularly, nested U-Net enhanced segmentation accuracy for challenging boundary pixels affected by partial volume effects. The U-Net-wide model achieved improved accuracy compared to the U-Net model, which indicated the influence of parameter numbers. Similarly, nested U-Net has the closest match to the ground truth of physics-based metrics, including the porosity of pore space and DFNs, and the permeability difference quantifying the connectivity of DFNs. The findings highlight the effectiveness of DL models, especially the U-Net++ model with nested architecture and redesigned skip connections, in accurately segmenting pore spaces and DFNs, which are crucial for pore-scale fluid flow and transport simulation in low-permeability rocks.

Wang, Hongsheng↗

DOE OSTI2026

Optimizing Porous Transport Layer Porosity for Proton Exchange Membrane Water Electrolysis

An empirical model is presented that describes anode-side losses related to porous transport layer (PTL) morphology in proton exchange membrane water electrolysis (PEMWE). The model is based on an advanced voltage breakdown analysis that links various overpotentials to PTL morphology. Custom Ti PTLs, spanning uncommonly low porosities (22 - 31%), were fabricated and analyzed with X-ray CT to obtain pore and particle size distributions. Particle size distributions were consistent across samples with an average particle diameter of 12.0?..mu..m, whereas average pore diameters ranged from 6.0 to 7.0?..mu..m. The PTLs were tested in standard PEMWE cell assemblies with anode catalyst loadings of 0.1 mgIr cm-2 to obtain polarization curves, electrochemical impedance spectra, and augmented Tafel analysis. The PTL-dependent anode side losses were deconvoluted and assigned to excess utilization, concentration, ion transport resistance, and electrical contact resistance overpotentials. The data and model reveal an optimal 20 - 28% PTL porosity region where utilization and contact resistance overpotentials are minimized without triggering concentration and ion transport losses related to water deprivation. The optimal PTL porosity depends on the operating current density and is demonstrated at realistic PEMWE water flow rates to establish PTL design guidance for operation at scale.

08 HYDROGEN↗

DOE OSTI2020

The TRANSCEND University Consortium: Theme 2 - Site Decommissioning, Deconstruction and Remediation - 20329

This paper will discuss the aims, objectives and progress to-date under Theme 2 of the TRANSCEND consortium project: Site decommissioning, deconstruction and remediation. Decommissioning nuclear sites involves waste retrieval, decontamination, deconstruction and, where necessary, containment and/or remediation of the remaining structure and surrounding land. Critical to management of these processes is limiting radiation exposure for the workforce, restricting the spread of radionuclides in groundwater, surface water and airborne particulates, and minimising the volume of contaminated waste for disposal. The aim of Theme 2 research is to develop new technologies for monitoring, remediation and containment that serve to minimise the volume of radioactively contaminated waste for disposal, for application prior to, during and after retrieval, deconstruction and decontamination operations. Prior research, conducted under the previous DISTINCTIVE project, demonstrated that colloidal silica grout can penetrate low permeability materials (including cement) for hydraulic barrier formation, and improved sorption capacity. The silica grout can be injected at surface using extremely small (potentially gravity-driven) fluid pressures, without the need for borehole drilling. Current work is investigating the erodibility of silica-grouted soils for inhibition of airborne and water-borne particulates as well as enhancing the grout's sorption capacity by addition of other materials to provide a chemical, as well as hydraulic, barrier to subsurface migration. EK remediation uses low voltage DC current to control migration of contaminants in porous media as well as to remove or degrade them. Researchers in the consortium have already demonstrated that low-energy ex-situ EK techniques can be used to provide remediation and volume minimisation for AWE legacy wastes in the UK. Under the current project researchers are building EK test cells containing simulated site materials at laboratory and intermediate(m)-scales to: remove, focus or degrade contaminants (remediation or waste minimisation); and direct subsurface water, chemical and colloid flow (fencing/containment or forced migration). This lab-based research is being informed by numerical models of EK processes that can subsequently be used to design full-scale on-site applications by nuclear site holders. Research under theme 2 of TRANSCEND will ultimately combine novel non-invasive detection technologies with EK techniques and colloidal silica grout barriers, to optimise the containment of radionuclide contamination in soils. Thus, allowing us to detect in-situ contamination, mobilise it to a selected location and grout it in-situ, prior to the initiation of decommissioning and deconstruction operations. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

The Influence of Aqueous Dispersivity on Transport of Radiological Material at LANL MDA G - 20450

Aqueous dispersivity is a phenomenon by which a solute moving in groundwater mixes with water that does not contain the solute and becomes diluted. Solutes take paths of varying lengths through pore networks or experience slower velocities due to interactions with pore walls. Aqueous dispersivity leads to breakthrough curves with earlier arrival than expected in purely advective systems and persistent 'tails,' or late-arriving, dilute concentrations of the solute. Dispersivity can be longitudinal (in the direction of flow) or transverse (orthogonal to flow). LANL has disposed of radioactive material at Material Disposal Area (MDA) G since the late 1950's. Most of the disposed materials at MDA G are low-level waste (LLW), but other types of radioactive wastes are disposed or stored at the site. For example, there is a collection of remote-handled transuranic waste (RH-TRU) waste in 33 shafts, which were intended to be stored retrievably. Aqueous-phase radionuclides included in models of contaminant transport at MDA G are subject to dispersive processes in porous media of the vadose zone and saturated zone. To model dispersivity at MDA G probabilistically, we created site-specific distributions of aqueous dispersivity. First, we performed a comprehensive review of peer-reviewed publications, reports from other performance assessments of MDA G, and documentation from sites that were considered similar based on expert opinion, such as Yucca Mountain. Data were included from a wide range of sources, so that distributions developed based on the data reflect the current state of knowledge in properties of the subsurface environment. Data were grouped based on value type (e.g., determined via experiment or used in a different model), rock type, zone type (saturated or unsaturated), and site, and were weighted in the distributions according to their relevance to the site and zone type. We combined Monte Carlo simulation and bootstrapping techniques to produce approximate distributions of mean aqueous dispersivity. Distributions of dispersivity for saturated and unsaturated zone transport are differentiated by data weight and the length scales over which transport occurs. We find that underestimating or disregarding transverse dispersivity may lead to overstating simulated well capture in the saturated zone at MDA G. Neglecting transverse dispersivity is a common assumption due in part to use of one-dimensional transport models that do not consider solute spreading orthogonal to flow. Also, we find that variability in longitudinal dispersivity is associated with substantial travel time alterations in the MDA G unsaturated zone and in simulated contaminant breakthrough times at a downstream observation plane in the MDA G saturated zone. Finally, at large scales (>1000 m), a linear trend between the dispersivity coefficient and length over which transport occurs may overestimate the dispersivity coefficient. Future modeling work with application to solute spreading could include interacting advective and diffusive zones in the highly fractured basalt below MDA G. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Advances and perspectives on mass transfer and enzymatic hydrolysis in the enzyme-mediated lignocellulosic biorefinery: A review

We report enzymatic hydrolysis is a critical process for the cellulase-mediated lignocellulosic biorefinery to produce sugar syrups that can be converted into a whole range of biofuels and biochemicals. Such a process operating at high-solid loadings (i.e., scarcely any free water or roughly ≥ 15% solids, w/w) is considered more economically feasible, as it can generate a high sugar concentration at low operation and capital costs. However, this approach remains restricted and incurs “high-solid effects”, ultimately causing the lower hydrolysis yields with increasing solid loadings. The lack of available water leads to a highly viscous system with impaired mixing that exhibits strong transfer resistance and reaction limitation imposed on enzyme action. Evidently, high-solid enzymatic hydrolysis involves multi-scale mass transfer and multi-phase enzyme reaction, and thus requires a synergistic perspective of transfer and biotransformation to assess the interactions among water, biomass components, and cellulase enzymes. Porous particle characteristics of biomass and its interface properties determine the water form and distribution state surrounding the particles, which are summarized in this review aiming to identify the water-driven multi-scale/multi-phase bioprocesses. Further aided by the cognition of rheological behavior of biomass slurry, solute transfer theories, and enzyme kinetics, the coupling effects of flow-transfer-reaction are revealed under high-solid conditions. Based on the above basic features, this review lucidly explains the causes of high-solid hydrolysis hindrances, highlights the mismatched issues between transfer and reaction, and more importantly, presents the advanced strategies for transfer and reaction enhancements from the viewpoint of process optimization, reactor design, as well as enzyme/auxiliary additive customization.

45 multi-scale, multi-phase, enzymatic reaction↗

DOE OSTI2020

Methods and systems for producing a metal chloride or the like

Systems and methods for producing metal chloride M ICl x from metal M I without the use of HCl and/or Cl 2 gases, including: a bath vessel holding conductive fluid; an anode disposed in the conductive fluid, the anode including metal M.sup.I; a cathode assembly disposed in the conductive fluid, the cathode assembly including a cathode vessel including porous and non-porous portions, the non-porous portion holding sacrificial metal chloride M IICl y substantially separate from metal chloride M ICl x , wherein the cathode assembly includes a center lead disposed within the cathode vessel operable for delivering charge to sacrificial metal chloride M IICl y ; and a power supply coupling the anode and the cathode assembly, the power supply polarized to produce current flow in a direction that causes anodic dissolution of metal M.sup.I into the conductive fluid and deposition of metal M.sup.II within the cathode vessel. The systems and methods apply equally to producing metal halide M IX x .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Multigrid reduction preconditioning framework for coupled processes in porous and fractured media

Not Available

02 PETROLEUM↗

DOE OSTI2021

Hydrogen permeability and stability of palladium films in a high pressure reactor

Palladium (Pd) thin films were fabricated by colloidal spray deposition (CSD) on substrates of porous yttrium stabilized zirconium oxide (YSZ). The films were sintered at 1140–1160 °C for 2–3 h in argon and had thickness of 5–11 μm. The hydrogen (H 2 ) permeation flux for the Pd film was measured with simulated feed gases (90% H 2 /He, syn-gas/steam, or syn-gas/steam with H 2 S) flowing on the film side and sweep gas (Ar) flowing on the substrate side. Here, the hydrogen flux with the Pd film was obtained by adjusting the flow rate and pressure of the gas. Hydrogen flux values of 121–173 cm 3 min -1 cm -2 were measured at 388–596 °C (feed: 90% H 2 /He at 200 mL min -1 ; sweep: Ar at 1400 mL min -1 ; and ΔP = ~170 psi), and the permeability was calculated and compared with literature values. Because Pd is known to be sensitive to some gases, the stability of Pd films was evaluated by examining the microstructures of samples after their exposure to gas mixtures containing CO, CO 2 , H 2 O, and H 2 S. From the results of stability tests in H 2 S-containing atmospheres, the Pd/Pd 4 S phase boundary was determined, and this measured boundary was compared to the Pd/Pd 4 S boundary calculated from the thermodynamic data in the literature.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Unraveling the Ion Adsorption Kinetics in Microporous Carbon Electrodes: A Multiscale Quantum-Continuum Simulation and Experimental Approach

With the understanding that sorption in porous carbon electrodes is crucial to many environmental and energy technologies, such as capacitive deionization (CDI), supercapacitor energy storage, and activated carbon filters. In each of these examples, a practical model that can describe ion electrosorption kinetics is highly desirable for accelerating material design. Here, we proposed a multiscale model to study the ion electrosorption kinetics in porous carbon electrodes by combining quantum mechanical simulations with continuum approaches. Our model integrates the Butler-Volmer (BV) equation for sorption kinetics and a continuously stirred tank reactor (CSTR) formulation with atomistic calculations of ion hydration and ion-pore interactions based on density functional theory (DFT). We validated our model experimentally by using ion mixtures in a flow-through electrode CDI device and developed an in-line UV absorption system to provide unprecedented resolution of individual ions in the separation process. We showed that the multiscale model captures unexpected experimental phenomena that cannot be explained by the traditional ion electrosorption theory. The proposed multiscale framework provides a viable approach for modeling separation processes in systems where pore sizes and ion hydration effects strongly influence the sorption kinetics, which can be leveraged to explore possible strategies for improving carbon-based and, more broadly, pore-based technologies

36 MATERIALS SCIENCE↗

DOE OSTI2022

Mesoflow: An Open-Source Reacting Flow Solver for Catalysis at Mesoscale

We present the capabilities and software performance metrics of our open-source continuum solver for catalysis, Mesoflow, developed specifically for modeling transport and chemistry at the mesoscale. Our solver utilizes Cartesian block-structured adaptive mesh refinement to resolve complex catalyst surface morphologies directly obtained from X-ray tomography data. An immersed boundary based formulation enables rapid representation of complex geometries prevalent in most mesoporous catalyst interfaces. The solver is developed on top of open-source performance portable library, AMReX, providing parallel execution capabilities on current and upcoming high-performance-computing (HPC) architectures. Our flexible software framework enables integration of complex chemical mechanisms at heterogenous interfaces and time-split algorithms for circumventing highly disparate reaction and flow time-scales. Our current studies indicate a ten-fold performance gain by using graphics-processing-units (GPUs) compared to a single processor for representative problem sizes (2 million cell mesh). We will also present a brief introduction on how to build and use this software for application problems pertaining to catalytic upgrading and gas transport within porous catalyst particles.

adaptive meshing↗