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At least 163 records · Page 9

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DOE OSTI2022

PARTICLE RESOLVED DNS STUDY OF TURBULENCE EFFECTS ON HYPORHEIC MIXING IN RANDOMLY PACKED SEDIMENT BEDS

Pore-resolved direct numerical simulations (DNS) are used to investigate the interactions between stream-water flow turbulence and groundwater flow through a porous sediment bed in the hyporheic zone. Two permeability Reynolds numbers (2.56 and 5.17), representative of aquatic systems and representing ratio of permeability to viscous length scales, were simulated to understand its influence on the momentum exchange at the sediment-water interface (SWI). A doubleaveraging methodology is used to compute the Reynolds stresses, form-induced stresses, and pressure fluctuations. It is observed that both shear layer and turbulent shear stress penetration increases with ReK. Reynolds and form-induced bed-normal stresses increase with ReK. The peak values of the form-induced stresses for the lower (2.56) and higher (5.17) ReK happen within the top layer of the sediment bed. The sum of turbulent and form-induced pressure fluctuations, analyzed at their respective zero-displacement planes, are statistically similar and can be well approximated by a t location-scale distribution fit providing with a model that could potentially be used to impose boundary conditions at the SWI in reach scale simulations.

Karra, Shashank↗

DOE OSTI2020

Effect of Power Plant Capacity on the CAPEX, OPEX, and LCOC of the CO2 Capture Process in Pre-Combustion Applications - Abstract

Aspen Plus v8.8 was used to simulate the pre-combustion CO2 capture process from a typical fuel gas stream at different power plant capacities ranging from 54.3 to 543 MW. Polyethylene glycol polydimethyl siloxane (PEGPDMS-1) was used as a physical solvent to capture CO2 in a countercurrent packed-bed absorber containing a structured packing (Mellapak 250Y). The process pressure was 51.4 bar and the solvent temperature was varied from 10 to 40 oC. The internal diameter of the absorber ranged from 1.9 to 7 m and the packing height from 13.9 to 45.5 m. The physico-chemical properties were obtained and modeled using the Perturbed Chain-Statistical Associating Fluid Theory (PC-SAFT) Equation-of-State (EOS). Four process constraints were imposed in Aspen Plus: (1) no flooding in the absorber, (2) the absorber height to diameter ratio (H/D) is greater than or equal 6, (3) at least 90 mol% of the CO2 capture from the fuel gas stream, and (4) the CO2 stream destined to sequestration sites should contain less than 600 ppm water concentration and less than or equal 0.5 mol% of fuel gases (H2, CO, CH4). The plant lifetime was assumed to be 30 years with an annual discount rate of 10% and an annual maintenance cost of 4% of the total capital expenses. Seven power plants with different capacities were used and for each plant, the corresponding CO2 capture process was simulated. The absorber flooding was checked using the generalized pressure drop correlation (GPDC) by Leva [1] and the capital expenditure (CAPEX), operating expenditure (OPEX), and levelized costs per ton of CO2 captured (LCOC) were calculated [2-5]. Normalized by the largest power plant capacity (543 MW) used in the simulation, the results indicated that the capital and operating expenditures increased, however, the LCOC decreased with increasing plant capacity. This behavior was due to the increased annual tonnage of the CO2 captured with plant capacity as shown in Figure 1. The calculated CAPEX, OPEX, LCOC and the tonnage of CO2 captured for the 543 MW power plant were about 52 MM$, 22 MM$/year, 7.46 $/ton and 4 MM ton/year.

Ashkanani, Husain↗

NASA NTRS2011

Packing Optimization of Sorbent Bed Containing Dissimilar and Irregular Shaped Media

The Fire Cartridge is a packed bed air filter with two different and separate layers of media designed to provide respiratory protection from combustion products after a fire event on the International Space Station (ISS). The first layer of media is a carbon monoxide catalyst and the second layer of media is universal carbon. During development of Fire Cartridge prototypes, the two media beds were noticed to have shifted inside the cartridge. The movement of media within the cartridge can cause mixing of the bed layers, air voids, and channeling, which could cause preferential air flow and allow contaminants to pass through without removal. An optimally packed bed mitigates these risks and ensures effective removal of contaminants from the air. In order to optimally pack each layer, vertical, horizontal, and orbital agitations were investigated and a packed bulk density was calculated for each method. Packed bulk density must be calculated for each media type to accommodate variations in particle size, shape, and density. Additionally, the optimal vibration parameters must be re-evaluated for each batch of media due to variations in particle size distribution between batches. For this application it was determined that orbital vibrations achieve an optimal pack density and the two media layers can be packed by the same method. Another finding was media with a larger size distribution of particles achieve an optimal bed pack easier than media with a smaller size distribution of particles.

Holland, Nathan↗

DOE OSTI2020

Levelized Cost of CO 2 Captured Using Five Physical Solvents in Pre-combustion Applications

Aspen Plus v8.8 was used to perform techno-economic analysis (TEA) of a CO 2 capture process from a typical fuel gas stream in a 543-MW pre-combustion power plant using five different physical solvents (Selexol, PEGPDMS-1, NMP, [aPy][Tf 2 N] and [hmim][Tf 2 N]). The process included a countercurrent packed-bed absorber operating under high-pressure over a wide range of temperatures and three pressure-swing flash drums for solvent regeneration. Furthermore, two packings, Mellapak 250Y and IMTP50, were used and the Levelized costs of CO 2 captured (LCOC) were calculated. The simulation results indicated that using Mellapak 250Y exhibited lower LCOC values than those when using IMTP50 for the five solvents under all conditions used as it offered better mass transfer. The CO 2 capture process carried out at low temperatures showed lower LCOC values than those at higher temperatures due to the increased CO 2 solubility in the solvents at lower temperatures, requiring smaller absorber diameter and lower solvent circulation rates, which offset the cooling requirements. Comparing the lowest LCOC values for the five solvents, the hydrophobic PEGPDMS-1 solvent was the most promising one compared to the other four solvents, due to its lowest capital and operating costs and noncorrosive, which enabled using less expensive materials for the process equipment.

42 ENGINEERING↗

DOE OSTI2021

Kinetics of Direct Olefin Synthesis from Syngas over Mixed Beds of Zn–Zr Oxides and SAPO-34

A packed bed containing a physical mixture of both Zn–Zr mixed oxide catalyst and SAPO-34 converts syngas directly into a mixture of C 2 –C 5 olefins and paraffins. Specifically, the mixed oxide catalyst is responsible for intermediate oxygenate synthesis from syngas while the molecular sieve catalyzes olefin synthesis from the oxygenate intermediates. Kinetic measurements with cofed propylene over each catalyst independently confirm olefin hydrogenation activity over both components of the composite bed. The addition of either water or CO to the feed drops the activity of propylene hydrogenation over the Zn–Zr oxide. In sum, under reaction conditions of syngas feed and produced water, olefin hydrogenation predominantly occurs over the SAPO-34 catalyst, rather than over the catalyst responsible for hydrogenating CO into oxygenate intermediates. Here, a developed kinetic model consistent with this conclusion describes measurements at differing feed compositions, temperatures, space velocities, and bed catalyst mixing ratios. Technoeconomic analysis of the process indicates that the olefin-to-paraffin ratio is a key performance metric for commercial scale syngas conversion and highlights the importance of considering olefin hydrogenation rates over the molecular sieve component.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2015

Thirsty Walls: A New Paradigm for Air Revitalization in Life Support

Carbon Dioxide removal systems on submarines are compact and reliable. They use solubility chemistry. They spray a Carbon Dioxide adsorbing chemical directly into the air stream, and allow the liquid to settle. Carbon Dioxide removal systems on ISS are large and need repair. They use adsorption chemistry. They force air through a bed packed with granular zeolite, and heat the bed to desorb the Carbon Dioxide. The thermal cycles cause the zeolite to dust. New advances in additive manufacturing, and a better understanding of uid behavior in microgravity make it possible to expose a liquid directly to air in a microgravity environment. It is now practical to use submarine style solubility chemistry for atmosphere revitalization in space. It is now possible to develop space systems that achieve submarine levels of reliability. New developments in Ionic Liquid research make it possible to match the solubility performance characteristics of MEA used on submarines - with Ionic Liquids that do not release chemical vapors into the air. "Thirsty Walls" provide gentle, passive contact between ventilation air and Air Revitalization functions of temperature control, relative humidity control, and Carbon Dioxide removal. "Thirsty Walls" eliminates the need of large blowers and compressors that need to force air at high velocities through restrictive Air Revitalization hardware.

Graf, John↗

DOE OSTI2022

Development, characterization, and modeling of a high-performance Ru/B2CA catalyst for ammonia synthesis

This paper documents the development and performance of a nano-phase Ru catalyst on a (BaO) x (CaO) y (Al 2 O 3 ) support. Extensive screening of the support’s ternary composition shows the best stoichiometry is (BaO) 2 (CaO)(Al 2 O 3 ), denoted B2CA. The paper first describes catalyst preparation and characterization. The paper reports a detailed 12-step reaction mechanism that represents ammonia synthesis over wide ranges of temperature, pressure, space velocity, and feed composition. Additionally, the mechanism is developed and validated using results of packed-bed experiments. The elementary reaction pathways consider surface adsorbates, including catalyst-poisoning behaviors. The rate expressions include important coverage-dependent activation barriers. Machine learning models assist interpretation of the catalyst-support interactions. The detailed chemistry is much more predictive than is possible with global representations (N 2 + 3H 2 ⇌ 2NH 3 ). The validated models can be applied to assist optimizing reactor design and operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Kinetic model development for single step ethanol to butene rich olefin process over Cu-Y/Beta catalysts

Here, this study presents the first intrinsic kinetic model for the single-step conversion of ethanol to butene-rich olefins over bifunctional Cu-Y/Beta catalysts, addressing a critical gap in the design and scale-up of Sustainable Aviation Fuel (SAF) processes. The reaction network comprises ten global steps involving dehydrogenation, aldol condensation, hydrogenation, and dehydration reactions, distributed across Cu and rare-earth (Y) active sites. The model incorporates dual-site functionality (Cu and Y site) and explicitly accounts for key intermediates such as crotonaldehyde and butanal. Reaction rates are formulated using Langmuir–Hinshelwood–Hougen–Watson (LHHW) kinetics. Kinetic parameters are extracted by fitting the model to lab-scale packed-bed reactor data across a wide range of temperatures and space velocities, demonstrating strong agreement in ethanol conversion and product selectivity. The reaction kinetics developed in this work provide a foundational basis for constructing reactor models that enable process optimization and scale-up of ethanol-to-jet fuel technologies.

Cu-Y/Beta catalyst↗

DOE OSTI2024

Distributed sustainable metals production: opportunities for intensifying separations & alternative feedstocks

Meeting the increased demand for rare earth elements and beyond primary mined ore. Secondary sources like phosphogypsum, coal fly ash, used nuclear fuel, and electronic waste are concentrated sources of critical minerals. One strategy for a resilient supply chain is to decentralize sourcing and hydrometallurgical processing of metals. Rotating packed beds (RPBs) for solid-phase extraction and liquid-liquid extraction are gaining momentum for their ability to increase process throughput by 5-10x the state of the art. In conclusion, this review discusses advances in hydrometallurgical RPB processes and opportunities for implementation in distributed metals production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Advanced CO 2 Capture Solvent Systems for Dynamic Power Generation

RTI International, in collaboration with Pacific Northwest National Laboratory (PNNL), Carbon Capture Simulation for Industry Impact (CCSI 2 ), Electricity Power Research Institute (EPRI), and West Virginia University (WVU), successfully completed a joint research effort in developing a cost-effective, resilient, load-following advanced CO 2 capture technology for natural gas power plants. The project’s objective was to develop a CO 2 capture process that maximizes the net present value (NPV) of the electricity sale by minimizing the levelized cost of electricity (LCOE) under dynamic plant loads and high renewable penetration environments. The two key innovations developed in this project were the use of (i) advanced water-lean solvents (WLSs) and (ii) process intensification equipment, such as a rotating packed bed (RPB) absorber and dual-stage flash regeneration. The process’s low CO 2 capture cost is realized through WLSs’ low energy required for solvent regeneration, which lowers the operating cost while RPBs intensify the absorption process and reduces the power plant capital cost. A suite of advanced computational and simulation packages was implemented to guide the process design, validate the dynamic response of the capture plant, evaluate system-wide performance, and maximize the power plant’s profit. The project also engaged with power producers and other stakeholders to ensure its technical relevance and techno-economic viability. The development of this highly disruptive CO 2 capture technology could accelerate the industry adoption and thereby lower the greenhouse gas emissions of the U.S. power sector. Deployment of this technology can increase the reliability and decrease the cost of electricity generation in the U.S. by enabling the use of low-carbon fossil fuels to balance fluctuations of renewable energy availability.

03 NATURAL GAS↗

DOE OSTI2021

Experimental investigation on the coolability of nuclear reactor debris beds using seawater

During the Fukushima nuclear reactor accident, seawater was injected into the reactor core to cool the decay heat from the heat generating porous debris bed. However, the impact of dissolved salts in water on the coolability of a debris bed is not well understood. This paper is one of the first works to investigate the cooling mechanisms for debris bed using seawater. An experimental system was built where the packed bed test section was volumetrically heated via a high frequency induction heater. The temperature along the axis of the test section was measured using a high resolution temperature sensor based on Optical Frequency Domain Reflectometry. Experimental results show that the dryout heat flux increases with an increase in concentration, with pure water having a dryout volumetric heat flux of 1.8 MW/m and salt water of concentration 7% having a dryout volumetric heat flux of 2.8 MW/m. However, this enhanced coolability using salt water is short term, as the crystallization fouling mechanism becomes significant over time and leads to gradual temperature excursion in the bed. The fouling mechanism eventually leads to a cross section of the debris bed to plug with the deposited salts, and this leads to a pressure build up in the lower regions of the debris bed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

Microbe-Encapsulated Silica Gel Biosorbents for Selective Extraction of Scandium from Coal Byproducts

Establishing an inexpensive and environmentally friendly scandium (Sc) supply is critical for the development of clean energy technologies. However, refining Sc from Sc-bearing sources using current technologies poses economic and environmental challenges due to its low concentration relative to base metals and chemically similar lanthanides. In this work, we developed a biosorption-based flow-through process for extraction of Sc from low-grade feedstocks. A novel biosorbent material was synthesized by encapsulating Arthrobacter nicotianae, a bacterium that selectively adsorbs Sc, within a porous silica matrix. Through the use of several complementary microscopy techniques, we demonstrated a highly porous biosorbent structure with a high cell-loading density and a homogenous cell distribution. Batch adsorption assays revealed selective Sc adsorption over lanthanides and common based metals, with the exception of Fe(III), as evidenced by separation factors greater than 50. The MESG particles were packed into fixed-bed columns to enable adsorption under flow-through conditions, which demonstrated effective Sc extraction at flow rates up to 0.08 cm/s and high stability for reuse; greater than 95% of the adsorption capacity was maintained after 10 consecutive adsorption/desorption cycles. When applied to a lignite coal leachate, whose Fe content was depleted through pH-mediated precipitation, the MESG particles yielded Sc breakthrough at 30 bed volumes, whereas all other metals broke through after only a few bed volumes. Following desorption, an eluate with a 124-fold increase in Sc purity was achieved relative to the lignite leachate with Sc constituting 96.4% of the total REEs. This study established a rapid, facile, and scalable cell immobilization approach that enables the use of microbial biomass for Sc recovery from low-grade sources.

Dong, Ziye↗

DOE OSTI2022

FY2021 Rotating Bed Reactor for Iodine Removal from ETF Feed to Support DFLAW Start-Up

In FY20, Washington River Protection Solutions, LLC (WRPS) began a program of work to evaluate potential technologies for removal of iodine from the ETF feed. Work at the Pacific Northwest National Laboratory (PNNL) focused on ion exchange media and conventional column based deployment while Atkins and VSL focused on ion exchange media in a Rotating Bed Reactor (RBR) system. In the RBR system, the ion exchange media is loaded into a packed bed, which is rotated in the liquid to be treated. The work described in this report builds on the results from FY20 work, in particular, with regard to improving iodate removal, extending the data set to support process modeling, further comparison of RBR versus column performance, and RBR scale-up testing.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Temperature-dependent spectral emittance of bauxite and silica particle beds

Bauxite and silica particles are candidate materials for solar thermal energy storage at high temperatures. The temperature-dependent emittance of packed beds with bauxite and silica particles was measured using a newly upgraded emissometer at wavelengths 2 μm ≤ λ ≤ 16 μm and temperatures up to ~730 K. The room-temperature emittance was obtained from the measured directional-hemispherical reflectance. A fused silica disc was used to test the emissometer by comparing the measured spectral emittance with the calculated emittance from a fitted Lorentz oscillator model. For the polycrystalline silica particles and the fused silica disc, the measured emittance increases with temperature in the mid-infrared region. The underlying mechanism is interpreted as the temperature-dependent damping coefficient in the Lorentz oscillator model. Two types of bauxite particles with different compositions and sizes were investigated. For λ > 10 μm, the measured emittance at elevated temperatures is higher than that at room temperature. In the region 2 μm < λ < 6 μm, the temperature dependence varies for different types of particles. The total emittance of bauxite particle beds was calculated by spectral integration using Planck’s distribution at the prescribed temperature. As a result, the calculated total emittance is between 0.89 and 0.96, but it does not change monotonically with temperature.

42 ENGINEERING↗

DOE OSTI2021

From casting to 3D printing geopolymers: A proof of concept

The objective of this paper is to define a mix design strategy allowing the implementation of geopolymer in powder bed 3D printing. In a selective binder approach, an aluminosilicate powder bed is activated through the deposit of an alkaline silicate solution. We first show that, in comparison to casting, this technology requires mastering the spreading of the liquid into the powder bed to ensure that the reaction takes place where it is needed. A series of experiments at the drop level, mimicking the 3D printing process, were performed to determine the printing solution composition for a given powder bed packing. We then highlight the relationship between the compressive strength of the printed geopolymer and the powder bed saturation, controlled by the printing parameters. Finally, SEM/EDX analysis confirm the formation of geopolymer with desired Si/Al and Na/Al ratios in the resulting printed material.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Two-Way Coupled CFD/DEM Simulation of Electromagnetic Heating in a Fluidized Bed Reactor

A set of tools has been developed to couple a multiphase reacting computational fluid dynamics solver (MFIX) with two computational electromagnetic solvers (COMSOL and Elmer). In contrast to several recent investigations, which calculate a single static EM field prior to the CFD calculation, in the present work the electromagnetic field is periodically updated during the simulation. This enables the EM field and associated EM heating predictions to reflect the effects of evolving material properties (temperature, composition, size etc.) and the evolving distribution of material in the system. The present work uses effective medium theory (EMT) for the electromagnetic field calculations since the goal is to apply the tool for industrial scale reacting systems. Predictions using MFIX/COMSOL and MFIX/Elmer are compared to in bed thermocouple measurements from a fluidized bed experiment and recent simulation predictions and recent experiments performed at NETL. The NETL experiments also include packed bed operating conditions. Coupled MFIX/COMSOL simulations at these conditions are compared with similar simulations using only COMSOL to measure errors due to the solver coupling approach.

CFD↗

DOE OSTI2026

Two-Way Coupled CFD/DEM Simulation of Electromagnetic Heating in a Fluidized Bed Reactor - Extended Abstract

CFD↗

DOE OSTI2021

Thermochemical reduction modeling in a high-temperature moving-bed reactor for energy storage: 1D model

The design of robust and efficient high-temperature thermochemical reactors and determination of operating conditions are critical steps toward enabling high-efficiency long-duration solar energy storage. This work presents a computational model for the thermal reduction of a metal oxide material (Mg-Mn-O) up to 1450 °C and the coupled complex transport phenomena in a novel tubular thermal reactor design that features the capability for a high extent-of-reduction (high energy storage density) and inherent heat recuperation. A one-dimensional model coupling counter-current gas–solid flow, two-phase heat transfer, thermochemical redox reactions, and species transport in a moving-bed reactor is developed. Simplified versions of the model are validated with published results in the literature for packed beds with both inert and reactive particles; the fully coupled model is also validated with experimental measurements of a moving-bed reactor in terms of local temperatures and oxygen release at the exit. Detailed comparisons on the effects of different boundary conditions in the reaction zone (prescribed wall temperature vs. heat flux conditions) and formulations based on a simple uniform flow assumption vs. plug flow using Ergun equation for gas flow are investigated. The results are compared with experimental measurements, and for all cases, the energy flow components in the reactor system and the thermal to chemical conversion efficiency and overall system efficiency are computed. Finally, the predicted high thermal-to-chemical efficiency ~95% and system efficiency ~30% agree with experimental measurements.

25 ENERGY STORAGE↗