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At least 127 records · Page 7

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DOE OSTI2026

Mechanistic Insights for Plasma-Catalytic CO 2 Reduction over TiO 2 in a Dielectric Barrier Discharge Reactor

Reaction kinetics experiments coupled with phenomenological kinetic modeling and parameter estimation are used to elicit insights into the mechanism and active sites for the plasma-catalytic dissociation of CO 2 on TiO 2 . Experimental and model insights showed that gas-phase reactions contribute at least two-thirds of the overall product formation at explored conditions; weak temperature dependence, strong sensitivity to specific energy input (SEI), apparent first order in CO 2 , and positive influence of cofed argon (Ar) and oxygen (O 2 ) for the gas-phase contributions all suggest that expected plasma reaction steps such as electron-impact and high-energy collisions are the dominant modes for CO 2 dissociation. The Arrhenius-like expression for gas contributions resulted in a preexponential of 4.40 × 10 –3 s –1 , an E SEI,g of 7.90 × 10 –4 mol/kJ, and an E a,g of 1.00 × 10 –3 J/mol. For surface contributions, the small apparent barrier of 16.3 kJ/mol, relatively weaker dependence on SEI, first-order dependence on CO 2 , and insensitivity to cofed Ar and O 2 all point to CO 2 dissociation on TiO 2 surface facets without vacancies and aided by plasma (leading to vibrationally excited CO 2 and/or a reactive surface with significant surface charge accumulation). The Arrhenius-like expression resulted in a preexponential of 7.81 × 10 –2 s –1 , an E SEI,s of 1.90 × 10 –3 mol/kJ, and an E a,s of 1.63 × 10 4 J/mol. The derived kinetic model further enabled a systematic evaluation of the effect of inputs (plasma power, flow rate, CO 2 inlet concentration, and temperature) to identify process trends and optimal operating conditions.

catalyst↗

DOE OSTI2024

Once-Through Steam Generator Model Analysis Using Python and Advanced Optimization Tools (Summer Internship Report)

This study focuses on the parametric analysis of design parameters for a once-through steam generator (OTSG) model, using python and advanced optimization tools to facilitate applications such as the flowing autoclave steam generator (FASG) test cases. Building on previous research involving another OTSG with a different design, this project aims to enhance our understanding of how steam generators (SGs) behave and how their outputs are influenced by changes in design. The reason for this design change is to allow for more precise modeling and optimization of SG performance, to provide a comparative analysis between the two designs, and to set up the model for integration with the FASG test case. The OTSG python-model is a mathematical representation (including fluid flow and heat transfer equations/models/correlations) of a steam-generating unit in a pressurized water reactor-type small modular reactor system. Design studies involve changing the model’s input design parameters to observe the resulting effects on the output of the system. By using advanced optimization tools, such as the Risk Analysis Virtual Environment (RAVEN) developed at Idaho National Laboratory, detailed design parametric studies and model optimization were performed. Six input parameters—pressure, temperature, and mass flow rate for the inlet of the primary-side (hot fluid) and secondary-side (cold fluid), respectively, of the SG—were randomly perturbed via RAVEN’s Monte Carlo Sampler module, using uniform distributions (i.e., ±1%, ±5% and ±10% relative changes) for 600 samples. The analysis provides valuable insights into SG optimization and can be used for sensor placement optimization to effectively monitor and obtain experimental data in other tests.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2024

Data From Experiments on Bubbling Fluidization of Zeolite in a Rectangular Bubbling Fluidized Bed

Fluidization experiments were conducted in a lab-scale rectangular bubbling fluidized bed with the objective of generating a high-quality dataset for model validation and artificial intelligence/machine learning (AI/ML) training. Zeolite was chosen as the bed material, and the fluidizing medium was air as supplied by a compressor. Three different flow rates at the inlet were chosen such that the particles were fluidized but not elutriated from the system. The test matrix involved randomization and replicates to provide uncertainty estimates as well as four different batches of zeolite as the bed material. The quantities of interest obtained from this study were statistics of differential pressures, interface heights, and particle velocities. Considering all the components of the elaborate test plan, the results obtained were consistent and reproducible. Characterization tests were performed to estimate particle properties including size, density, coefficient of friction, coefficient of restitution, and minimum fluidization velocity. In addition, the angle of repose from granular discharge experiments has been reported to account for rolling friction, though its effect on the overall process is expected to be negligible.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Efficiently resolving the terrestrial-aquatic interface in E3SM with sub-grid methods to improve coastal simulations (Final Technical Report)

The broad goal of this project was to extend the capabilities of MPAS‐Ocean, the ocean component of DOE’s Energy Exascale Earth System Model (E3SM), to better resolve the hydrodynamics of the terrestrial‐aquatic interface without significantly increasing computing resource requirements. Specifically, our goal was to better resolve the small-scale features across the terrestrial‐aquatic interface which includes the low lying coastal floodplain and a dendritic network of hydraulically efficient channels connected to estuarine systems and back bays, barrier islands and high energy inlets. The processes driving flow across the terrestrial‐aquatic interface include upland and floodplain hydrology, tides, wind and atmospheric pressure (including coastally generated storm surge across continental shelves and within estuaries and bays), wind waves and water temperature and salinity gradients.

58 GEOSCIENCES↗

DOE OSTI2025

BlueCRAB Domain Overlapping Coupling: Theory & Verification

Coupling low- and high-fidelity codes is a useful way to model complex engineering systems. Thanks to the high-fidelity code, complex phenomena can be resolved in areas of the system where this is required, yet the efficiency of the lower-fidelity code is still retained in modeling the rest of the system. This document details the theory and implementation of coupling two different thermal-hydraulic codes: the system thermal-hydraulics (STH) code System Analysis Module (SAM) and the coarse-mesh computational fluid dynamics (CFD) code Pronghorn. Both applications are included in the Comprehensive Reactor Analysis Bundle (BlueCRAB) code suite and are based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. The domain overlapping (DO) coupling approach was adopted, as it offers proven advantages over more conventional domain decomposition methods. In the DO coupling, SAM provides Pronghorn with boundary conditions that depend on the system-level simulation of the entire plant. In return, the overlapping coupled SAM components–termed “surrogate components”–receive friction factors and source terms computed online based on the Pronghorn simulation. The framework is designed to be generic and enable coupling regardless of geometry and the number of inlet/outlet boundaries in the DO coupled domain. The developed method leads to consistent pressure drops, enthalpies, and scalar concentrations when comparing the coupled SAM and Pronghorn simulations. This document presents the DO coupling approach, along with two verification and two demonstration cases. The proposed problems explore different physical aspects relevant to nuclear reactor analysis, including buoyancy-driven flows, complex flow patterns, and multiple inlets and outlets. Periodically, new versions of this “BlueCRAB Domain Overlapping Coupling: Theory & Verification” report will be issued to reflect future developments and verification tests.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Lightweight inorganic membrane module

An apparatus and system for separating a liquid from a mixed gas stream includes a porous graphite foam support comprising graphite foam with pores having a first pore size and a membrane support surface. A porous condensation membrane layer is provided on the membrane support surface, and interlocked with the pores of the graphite foam. The condensation membrane layer includes capillary condensation pores having a second pore size that is less than the first pore size. A mixed gas stream passageway is in fluid communication with the condensation membrane layer. A liquid collection assembly collects condensed liquid from the condensation pores and the graphite foam support pores. A gas inlet is provided for flowing the mixed gas stream into the mixed gas stream passageway. A gas outlet is provided for exhausting gas from the mixed gas stream passageway. A method for separating a liquid from a mixed gas stream is also disclosed.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Steam Generator Model Design Parameter Sensitivity Study Using Advanced Optimization Tools

This study focuses on design parameter sensitivity studies pertaining to a steam generator (SG) model, using both Python and machine-learning tools. The SG model is a mathematical representation (including fluid flow and heat transfer equations/models/correlations) of a steam-generating unit in a pressurized water reactor (PWR)-type small modular reactor (SMR) system. Design studies involve changing the model’s input design parameters (e.g., temperature, pressure, mass flow rate) to observe the resulting effects on the output of the system (e.g., heat transfer coefficient [HTC], Nusselt number, heat transfer performance). Sensitivity studies analyze the degree to which system output and/or desired parameters (e.g., HTC or heat transfer performance) are sensitive to changes in input parameters. By using machine-learning tools such as the Risk Analysis Virtual Environment (RAVEN) developed at Idaho National Laboratory (INL), detailed design parametric sensitivity studies and model optimization were performed. Six input parameters—namely, the pressure, temperature, and mass flow rate for the inlet of the primary-side (hot fluid) and secondary-side (cold fluid) of the SG—were randomly perturbed via RAVEN’s Monte Carlo Sampler module, using uniform distributions (±1% relative changes). The analysis results give valuable insights into SG system performance and optimization, and provide justification for researching optimized sensor placement to effectively monitor and obtain experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Steam Generator Model Design Parameter Sensitivity Study Using Advanced Optimization Tools

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Design and Analysis of the Open-Surface Slow Li Flow Divertor and Comparison to the Fast Li Flow Divertor

In the ongoing U.S. project, “Liquid Metal Plasma Facing Components,” sponsored by the U.S. Department of Energy, efforts have been taken to develop two open-surface divertor designs for the Fusion Nuclear Science Facility using liquid lithium (Li) as a heat and particle flux removal media. The main focus of this study is the design and analysis of a slow (~1 mm/s) and thin (<1 mm) open-surface Li flow divertor with a Li-cooled substrate, which is then compared with an earlier design of a fast (up to 10 m/s) and thick (~0.5 cm) Li flow divertor with the substrate cooled with helium. The slow Li flow divertor design is based on the original LiWall concept developed at the Princeton Plasma Physics Laboratory. Such a thin and slow Li layer can remove the particle flux by reducing the recycling flux, while the heat flux is removed mainly through the heat sink located beneath. In the present study, the heat sink is provided through a Li cooling flow inside the substrate of reduced activation ferritic/martensitic steel. By performing a multiphysics analysis with COMSOL that included liquid-metal magnetohydrodynamics (MHD), heat transfer, and structural mechanics, the impact of various factors on the divertor heat removal capability, such as Li flow velocity, MHD effects, and inlet velocity boundary condition, were examined. Based on comparisons of the two divertor designs, it was shown that the fast-flow divertor significantly outperformed the slow-flow design, whose heat removal capability was limited to ~1 to 2 MW/m2.

Jiang, Yuchen [ORNL] (ORCID:0000000283280284)↗

DOE OSTI2023

Flow assisted anti-fouling geometries for compact heat exchangers

A header for a heat exchanger and method for cleaning a heat exchanger in a loop without disconnecting loop components is provided. The header is in flow communication with the heat exchanger for distributing fluid through a plurality of adjacent channels. The header is connected between a main heat exchanger inlet nozzle and a channel flow distributor. A filter element is disposed within the header between the nozzle and channel flow distributor. Under normal operation, the filter element removes particulates and fouling material from the main flow stream before it enters the heat exchanger channels. During the cleaning process, fluid is injected on or through the filter element to remove particulates and fouling material through at least one outlet port. The header arrangement allows the filter element to be ‘cleaned in place’ without draining the system and disconnecting the heat exchanger or other components from the flow loop.

Carlson, Matthew David↗

DOE OSTI2020

Direct Numerical Simulation of the Flow through a Randomly Packed Pebble Bed

The proposition for molten salt and high-temperature gas-cooled reactors has increased the focus on the dynamics and physics in randomly packed pebble beds. Research is being conducted on the validity of these designs as a possible contestant for the fourth-generation nuclear power systems. A detailed understanding of the coolant flow behavior is required in order to ensure proper cooling of the reactor core during normal and accident conditions. In order to increase the understanding of the flow through these complex geometries and enhance the accuracy of lower-fidelity modeling, high-fidelity approaches such as direct numerical simulation (DNS) can be utilized. Nek5000, a spectral-element computational fluid dynamics (CFD) code, was used to develop DNS fluid flow data. The flow domain consisted of 147 pebbles enclosed by a bounding wall. In the work presented, the Reynolds numbers ranged from 430 to 1050 based on the pebble diameter and inlet velocity. Characteristics of the flow domain such as volume averaged porosity, axial porosity, and radial porosity were studied and compared with correlations available in the literature. Friction factors from the DNS results for all Reynolds numbers were compared with correlations in the literature. The first- and second-order statistics show good agreement with the available experimental data. Turbulence length scales were analyzed in the flow. Reynolds stress anisotropy was characterized by utilizing invariant analysis. Overall, the results of the analysis in this study provide deeper understanding of the flow behavior and the effect of the wall in packed beds.

Yildiz, Mustafa Alper↗

DOE OSTI2024

Field Study of 120-volt Heat Pump Water Heaters in the Big Easy

To meet long-term goals for reducing carbon emissions and lessen the impacts of climate change, the U.S. plans to decarbonize its building stock, which includes the replacement of fossil fuel-burning end uses with energy efficient electric alternatives. As part of this strategy, the replacement of fossil fuel water heaters with heat pump water heaters (HPWH) has the potential to avoid substantial carbon emissions. An estimated 10-15 million single-family homes with fossil fuel water heaters do not have the electrical panel capacity to install a 240-volt, 30-amp HPWH. For these homes, a technology recently introduced to the market, the 120-volt plug-in HPWH, can provide energy efficient electrification of water heating without an expensive panel and wiring retrofit. This paper presents the results of an ongoing 120-volt HPWH field study conducted in 17 homes in New Orleans, LA. Key installation scenarios are profiled for retrofitting from gas-fired water heaters to 120-volt HPWHs, accounting for space, air volume, air temperature, condensate drainage, and electrical. Each HPWH had its surrounding air temperature, relative humidity, inlet and outlet water temperature, flow, and energy consumption monitored. Using these data, hot water delivery and energy efficiency performance were analyzed based on home characteristics. Hot water run outs were investigated to understand how hot water usage, inlet water temperature, and surrounding air temperature impact the HPWH’s ability to meet load. From these results, best practices for 120-volt HPWH siting, sizing, and installation were developed. In addition, results are explored further to add insight for electrification policies and product development.

heat pump water heater, 120-volt, Residential buil↗

DOE OSTI2022

NUMERICAL PREDICTIONS OF MEAN PERFORMANCE AND DYNAMIC BEHAVIOR OF A 10 MWe SCO2 COMPRESSOR WITH TEST DATA VALIDATION

High-fidelity aerodynamic analysis has been demonstrated for mean performance and unsteady dynamics in a sCO2 compressor designed by Hanwha Power Systems Americas for a 10 MWe Concentrating Solar Power plant. Simulations were performed with CRUNCH CFD® software tool that was matured to accurately model near critical real fluid effects in sCO2. Pre-test predictions for mean performance were validated with test data collected later. Performance predictions were accurate and captured sensitivity of the efficiency to inlet temperature of CO2 as well as steep drop-off at high flow rates due to condensation in the inlet throat. Detailed analysis was performed to understand the source of these performance losses at near critical conditions. Unsteady dynamic effects in the compressor at off-design conditions were also identified and quantified. In particular a system wide “condensation surge” condition was detected at high flow coefficients that results in large amplitude pulsations with accompanying mass flow fluctuations at low frequencies and has potential to cause damage in closed loop systems.

hosangadi, ashvin↗

DOE OSTI2026

Coupled heat and mass transfer in internally cooled silica gel-coated aluminum foam heat exchangers for dehumidification

Solid desiccant dehumidifiers offer significant potential to improve humidity control in buildings due to their ability to independently regulate latent (humidity) and sensible (temperature) loads. However, adsorption of water vapor by desiccants is an exothermic process; the resulting heat of adsorption increases both the desiccant bed temperature and the temperature of the air flowing over the bed, thereby limiting the performance of desiccant dehumidifiers. To address this problem, desiccant-coated heat exchanger prototypes were developed by coating silica gel onto aluminum foam substrates and integrated with chilled water circulation for effective removal of the heat of adsorption. Prototype heat exchangers with two different pore densities (10 and 20 pores per inch (PPI)) and two different desiccant loadings (∼10.36% and ∼17.80%) were fabricated. Experiments were conducted by varying the inlet air face velocity, chilled water inlet temperature, and chilled water flow rate to investigate the coupled heat and mass transfer characteristics of the prototype heat exchangers over a wide range of operating conditions. The underlying transport mechanisms were analyzed using transient desiccant bed temperature, outlet air temperature, and outlet humidity profiles. The results demonstrate that internal cooling significantly enhances dehumidification performance by maintaining more favorable thermodynamic conditions for water vapor adsorption. Under identical operating conditions, a 20 PPI heat exchanger coated with 25.05 g of silica gel achieved 98.98% higher cumulative water uptake and 97.75% higher moisture removal capacity than the corresponding non-cooled case after 5 min of adsorption. This substantial enhancement was further supported by a validated one-dimensional coupled heat and mass transfer model developed in the present study. To date, this is one of the first experimental studies to systematically investigate the combined effects of internal cooling, foam pore density, and desiccant loading on the performance of silica-gel-coated metal foam heat exchangers under HVAC-relevant operating conditions.

42 ENGINEERING↗

DOE OSTI2021

High-speed phase contrast imaging of spray breakup of jet fuels under combusting conditions

X-ray phase contrast imaging is conducted at 90,517 Hz on a fuel spray to characterize the breakup of the bulk fuel into ligaments and individual droplets in a single-sector, swirl-stabilized combustor under reacting conditions. Phase contrast imaging is used to qualitatively assess spray breakup for two fuels: Jet-A, which represents a normal viscosity fuel, and a blend of JP-5 (64%) and farnesane (36% by volume), which represents a high-viscosity fuel, at three fuel-flow rates and two air inlet temperatures. Time-series images of the fuels show that atomization occurs much more rapidly at higher fuel pressure with thinner ligaments being rapidly shredded. The high-viscosity fuel is qualitatively observed to have markedly longer, thicker ligaments and larger droplet diameters after the primary breakup than the normal viscosity fuel. Using an image processing and droplet quantification strategy, the mean droplet velocity magnitudes were found to decrease with decreasing fuel pressure and fuel-flow rate. The increase in preheat temperature from 323 to 370 K results in an increase in the mean droplet velocity magnitude and a decrease in numerical average and Sauter mean diameter, indicating improved atomization. The high-viscosity fuel was found to have larger average droplet diameters at each condition than the normal viscosity fuel. The increased preheat is found to enhance the combustion efficiency, which is hypothesized to couple with the improved atomization due to the higher combustion temperatures. This indicates the importance of examining spray atomization and breakup under realistic combusting conditions for relevant fuels as the heat release directly couples with the atomization process.

42 ENGINEERING↗

DOE OSTI2025

Quantifying particle movement in a spout-fluidized bed with irregular feedstock morphology

Here, the spout-bed fluidization behavior of nonspherical, 140 μm SiC feedstock was quantified via particle image velocimetry for varying gas distributor geometries. A bench-scale, room-temperature fluidization setup was assembled to model a 50 mm fluidized bed chemical vapor deposition (FB-CVD) system, and fluidized bed motion was captured using a high-speed camera. Modular tips with varying inlet geometries were 3D printed and tested on the bench-scale rig using identical feedstock and gas flow rates in the range of 3.0–9.0 L/min. Fluidization behavior was quantified by extracting parameters of the bed velocity, frequency, dead time, and other measurements, which were ranked for each inlet geometry configuration tested. The results from this work demonstrate that changing the path of inlet gas flow can significantly change the hydrodynamics within a spout-fluidized bed under identical feedstock, loading, and flow rate conditions, potentially enabling experimental control of particle fluidization behavior for a given condition. Moreover, composite rankings of fluidization behavior for unique distributor geometries hold potential to guide the design of FB-CVD experiments for various engineering and scientific applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Volatile Organic Compounds in Bankhead National Forest (AMF3). August to September, 2025

The formation of atmospheric aerosols through the transformation of volatile organic compounds (VOCs) is a fundamental process in aerosol-climate interactions, as these particles serve as cloud condensation nuclei and ultimately influence Earth’s radiative balance. However, there remains a critical need to quantify the effects of multiple coexisting VOC precursors on aerosol formation beyond the limitations of laboratory-scale studies. This research aims to advance the mechanistic understanding of secondary organic aerosol formation in the southeastern United States by investigating interactions among coexisting VOC precursors observed at the third ARM Mobile Facility located in the Bankhead National Forest. The dataset was generated from the deployment of Oak Ridge National Laboratory’s PTR-TOF 6000 X2 Proton Transfer Reaction Time-of-Flight Mass Spectrometer (PTR-ToF-MS) for the real-time, continuous monitoring of VOCs from August 21 to September 15, 2025. To minimize sampling artifacts and compound losses, the PTR-ToF-MS inlet was connected to the cabin flow line by replacing the existing Tygon tubing with 1/2-inch outer diameter perfluoroalkoxy (PFA) tubing. The instrument operated on an hourly measurement cycle consisting of 8 minutes of zero-air measurements followed by 52 minutes of ambient air sampling, with a temporal resolution of 10 seconds. The dataset includes concentrations, reported in ppb, of methanol, acetone, acetonitrile, isoprene, methyl vinyl ketone and methacrolein (MVK + MACR), monoterpenes, benzene, toluene, and catechol.

Atmospheric concentration of volatile organic comp↗

DOE OSTI2021

Impact of particle loading and phase coupling on gas–solid flow dynamics: A case study of a two-phase, gas–solid flow in an annular pipe

The present study is devoted to a two-phase, gas–solid flow in an annular pipe (hollow cylinder) at an elevated pressure of 15 bars and moderate Reynolds number of circa 6000. The influence of the particle loading, the interaction between the phases, and turbulence dispersion on the flow dynamics is systematically studied by means of computational fluid dynamics simulations, employing the Ansys FLUENT commercial package. The cases with a particle volumetric fraction of 1.2% are referred to as “high particle loading,” and those with 0.13% are denoted as “low particle loading.” The following cases are investigated: (1) pure gas flow; (2) low particle loading two-phase flow with one-way coupling and with turbulence dispersion; (3) low particle loading two-phase flow with two-way coupling but without turbulence dispersion; (4) low particle loading two-phase flow with two-way coupling and with turbulence dispersion; (5) high particle loading two-phase flow with one-way coupling and with turbulence dispersion; (6) high particle loading two-phase flow with two-way coupling but without turbulence dispersion; and (7) high particle loading two-phase flow with two-way coupling and with turbulence dispersion. Additionally, the boundary layer is found to grow without fluctuations of the turbulent kinetic energy (TKE) for cases 1, 2, and 5. For case 4, the TKE fluctuations have been identified, although they appear to be less substantial than those in cases 6 and 7. The authors attribute the semi-chaotic nature of the TKE fluctuations to the particle loading and two-way coupling. In addition, the onset and development of the flow instability have been observed at a random axial distance in cases 4, 6, and 7. Such instability is also attributed to the two-way coupling with turbulence dispersion in the flow. It is concluded that the particle loading, one-way, or two-way coupling between the phases, and the turbulence dispersion models significantly influence the development of the flow dynamics with the same inlet and boundary conditions. Consequently, it is not a trivial question, which result a user should trust. The present computational results inspire to perform verification as well as experimental validation of the simulations, so the simulation results can subsequently be used with confidence for design analysis.

42 ENGINEERING↗