Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “reactive flow”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14

Power-Domain Impedance Theory for the Analysis and Mitigation of Interarea Oscillations: Preprint

This paper presents an impedance-based theory for the analysis and mitigation of interarea oscillations in power systems. Because low-frequency power system oscillations primarily manifest in phasor quantities, including active and reactive power flows, and the magnitude and frequency of bus voltages, a new-type of impedance, called power-domain impedance, is defined in terms of these phasor quantities. The power-domain impedance provides an intuitive framework for the analysis of interarea oscillations without requiring internal details of generators, and it is ideally suited for developing oscillation damping controls in inverter-based resources. The power-domain impedance theory is demonstrated in this paper using PSCAD simulations of a two-area system. The theory is also used for designing damping control in synchronous generators and a wind power plant in the two-area system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Geologic Disposal Safety Assessment (GDSA) Biosphere Model Development

The Spent Fuel and Waste Science and Technology Campaign of the U.S. Department of Energy Office of Nuclear Energy, Office of Spent Fuel and Waste Disposition is conducting research and development on geologic disposal of spent nuclear fuel and high-level nuclear waste. This work includes the Geologic Disposal Safety Assessment (GDSA) program which is charged with development of generic deep geologic repository concepts and system performance assessment models. One part of the GDSA framework is the development of a biosphere model capable of assessing doses to potential receptors exposed to radionuclides released from geologic disposal sites. As part of the GDSA framework, a biosphere model compatible with the PFLOTRAN massively parallel subsurface flow and reactive transport code is under development. The PFLOTRAN model provides the radionuclide source term for the biosphere model. The GDSA Biosphere model then assesses the potential movement of radionuclides through the surface biosphere and the subsequent exposure to a human receptor living in the biosphere. The biosphere model includes pathways originating from the groundwater as well as pathways originating from surface water bodies that have a water exchange with a contaminated groundwater body. The pathways for human exposure include consumption of drinking water, irrigated crops, meat animals, aquatic vegetation, and animals, etc.; external exposure from irrigated ground surfaces, surface water bodies, recreational activities, etc.; and inadvertent exposures such as ingestion of contaminated soils or shower water, etc. The GDSA Biosphere model was designed to be flexible and generic in order to accommodate a variety of different sites and climate states. This presentation will present the on the purpose, design, and development progress of the GDSA Biosphere Model.

GDSA, biosphere, repository↗

Rates of elementary reactions - Measurement and applications

Techniques used for characterizing elementary chemical reaction kinetics are explored. Flash- or laser-photolysis (FP) involves producing reactive species on the psec time scale and monitoring the changes spectroscopically. In the discharge flow (DF) method, reactive species are produced continuously in a flow of an inert gas containing the reactants. FP avoids surface and transport effects, while DF allows several reactions to be studied in different regions of one flow. Transport and surface boundary layer models are defined for DF calculations and sample calculations are carried out to illustrate the difficulties inherent in theoretically defining the rate constants for elementary reactions. Applications of the models thus far derived in atmospheric science and combustion studies are discussed.

Kaufman, F.↗

Safety Analysis for the Versatile Test Reactor Conceptual Design

Safety analysis simulations have been carried out using the SAS4A/SASSYS-1 safety analysis code system to update the baseline set of results for the Versatile Test Reactor conceptual design. Results from a previous revision of this work provided input for the Conceptual Safety Design Report summarizing the overall safety basis for the VTR. This work will also support future analyses that will be required for Chapter 13, “Accident Analysis,” of a preliminary safety analysis report. A number of transients have been evaluated based on categories of postulated accident sequences suggested for consideration in NUREG-1537. Ultimately, the full spectrum of event initiators and subsequent accident sequences will be defined through a probabilistic risk assessment of the plant design following the implementation of the Licensing Modernization Project guidelines as described in the VTR Safety Design Strategy. Since that process is ongoing, the present analysis addresses several transients that are expected to be bounding accident scenarios that represent the three key ways to perturb a reactor: through changes to the core inlet temperature, mass flow rate, or reactivity. These correspond to a loss of heat sink (LOHS), loss of flow (LOF) or station blackout (SBO), and transient overpower (TOP), respectively. Both Protected and Unprotected versions of these transients have been evaluated, along with additional transients that include transient overpower with one stuck rod, pump coast-down failures, seismic events, and overcooling events. At the current stage of design, transient simulation results for the Versatile Test Reactor indicate that large safety margins exist for many event initiators. However, several “enabling” assumptions have been made, in terms of both design features and design limits, in order to perform the analyses; and these assumptions will need to be revised as the design matures. In addition, a larger spectrum of events needs to be evaluated as part of the on-going probabilistic risk assessment process.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Numerical analysis of dynamic load following response in a natural circulation molten salt power reactor system

The Molten Salt Reactor (MSR) concept is a rapidly evolving Generation IV design that has recently attracted favorable attention due to the potential for reducing waste generation, realizing passive safety features, and seizing on the opportunity for cost effective economics. An investigation into the power transient behavior of an autonomous load-following, closed-loop, natural circulation MSR system is important to quantifying operational and safety performance under dynamic conditions. This paper presents the results of a STAR-CCM+ and a comparatively simple asymmetric, one-dimensional, numerical model to solve the compound dynamic MSR power behavior subject to flow and temperature reactivity feedback only. Results show that reactor power is affected by fuel salt flow velocity (global) and temperatures (local bulk volume averages) in a coupled, time-delayed manner that results in a unique compound dynamic, closed-loop power feedback mechanism. The 1-D simulation approach opens the possibility of performing inexpensive computations to evaluate time-dependent reactor performance relative to thermo-physical fuel salt limitations. Results also potentially motivate a convincing conclusion that natural circulation MSRs provide a leap in safety and reliability.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Base Flow Investigation of the Apollo AS-202 Command Module

In recent years, both Europe and the US are developing hypersonic research and operational vehicles. These include (re)entry capsules (both ballistic and lifting) and lifting bodies such as ExoMars, EXPERT, ARV, CEV and IXV. The research programs are meant to enable technology and engineering capabilities to support during the next decade the development of affordable (possibly reusable) space transportation systems as well as hypersonic weapons systems for time critical targets. These programs have a broad range of goals, ranging from the qualification of thermal protection systems, the assessment of RCS performances, the development of GNC algorithms, to the full demonstration of the performance and operability of the integrated vehicles. Since the aerothermodynamic characteristics influence nearly all elements of the vehicle design, the accurate prediction of the aerothermal environment is a prerequisite for the design of efficient hypersonic systems. Significant uncertainties in the prediction of the hypersonic aerodynamic and the aerothermal loads can lead to conservative margins in the design of the vehicle including its Outer Mould Line (OML), thermal protection system, structure, and required control system robustness. The current level of aerothermal prediction uncertainties results therefore in reduced vehicle performances (e.g., sub-optimal payload to mass ratio, increased operational constraints). On the other hand, present computational capabilities enable the simulation of three dimensional flow fields with complex thermo-chemical models over complete trajectories and ease the validation of these tools by, e.g., reconstruction of detailed wind tunnel tests performed under identified and controlled conditions (flow properties and vehicle attitude in particular). These controlled conditions are typically difficult to achieve when performing in flight measurements which in turn results in large associated measurement uncertainties. Similar problems arise when attempting to rebuild measurements performed in "hot" ground facilities, where the difficulty level is increased by the addition of the free-flow characterization itself. The implementation of ever more sophisticated thermochemical models is no obvious cure to the aforementioned problems since their effect is often overwhelmed by the large measurement uncertainties incurred in both flight and ground high enthalpy facilities. Concurrent to the previous considerations, a major contributor to the overall vehicle mass of re-entry vehicles is the afterbody thermal protection system. This is due to the large acreage (equal or bigger than that of the forebody) to be protected. The present predictive capabilities for base flows are comparatively lower than those for windward flowfields and offer therefore a substantial potential for improving the design of future re-entry vehicles. To that end, it is essential to address the accuracy of high fidelity CFD tools exercised in the US and EU, which motivates a thorough investigation of the present status of hypersonic flight afterbody heating. This paper addresses the predictive capabilities of after body flow fields of re-entry vehicles investigated in the frame of the NATO/RTO - RTG-043 Task Group and is structured as follows: First, the verification of base flow topologies on the basis of available wind-tunnel results performed under controlled supersonic conditions (i.e., cold flows devoid of reactive effects) is performed. Such tests address the detailed characterization of the base flow with particular emphasis on separation/reattachment and their relation to Mach number effects. The tests have been performed on an Apollo-like re-entry capsule configuration. Second, the tools validated in the frame of the previous effort are exercised and appraised against flight-test data collected during the Apollo AS-202 re-entry.

Walpot, Louis M. G.↗

Effects of Dissolution Regimes on Flow Channelization and Solute Transport in 3D Fracture Networks: Insights From Graph‐Based Reactive Transport Modeling

We investigate how mineral dissolution reshapes flow pathways and solute transport in three‐dimensional discrete fracture networks using a computationally efficient graph‐based reactive transport model. The DFNs are inspired by field‐site observations of fractured carbonate and represent realistic connectivity and structural heterogeneity. Flow is simulated with the Reynolds equation, and dissolution follows first‐order kinetics with diffusive limitations captured through an effective mass‐transfer coefficient. By systematically varying two key dimensionless parameters, the effective Damköhler number (Da), governing reaction versus advection rates, and a transport parameter (Da), analogous to the Thiele modulus, distinct flow channelization regimes emerge: mildly channelized at low G, highly channelized at intermediate Da, and extreme wormhole formation at high Da and low G. Eulerian and Lagrangian analyses, including breakthrough curves, particle tortuosity, dispersivity, and flow channeling indicators quantitatively characterize the progression of dissolution‐driven network restructuring. Across all regimes, initial fracture heterogeneity persists. The results underscore how the interplay between this initial structure, advection, reaction, and diffusion critically shapes subsurface flow pathways, with implications for applications ranging from groundwater remediation to enhanced geothermal systems.

54 ENVIRONMENTAL SCIENCES↗

PFLOTRAN-SIP: A PFLOTRAN Module for Simulating Spectral-Induced Polarization of Electrical Impedance Data

Spectral induced polarization (SIP) is a non-intrusive geophysical method that collects chargeability information (the ability of a material to retain charge) in the time domain or its phase shift in the frequency domain. Although SIP is a temporal method, it cannot measure the dynamics of flow and solute/species transport in the subsurface over long times (i.e., 10–100 s of years). Data collected with the SIP technique need to be coupled with fluid flow and reactive-transport models in order to capture long-term dynamics. To address this challenge, PFLOTRAN-SIP was built to couple SIP data to fluid flow and solute transport processes. Specifically, this framework couples the subsurface flow and transport simulator PFLOTRAN and geoelectrical simulator E4D without sacrificing computational performance. PFLOTRAN solves the coupled flow and solute-transport process models in order to estimate solute concentrations, which were used in Archie’s model to compute bulk electrical conductivities at near-zero frequency. These bulk electrical conductivities were modified while using the Cole–Cole model to account for frequency dependence. Using the estimated frequency-dependent bulk conductivities, E4D simulated the real and complex electrical potential signals for selected frequencies for SIP. These frequency-dependent bulk conductivities contain information that is relevant to geochemical changes in the system. This study demonstrated that the PFLOTRAN-SIP framework is able to detect the presence of a tracer in the subsurface. SIP offers a significant benefit over ERT in the form of greater information content. It provided multiple datasets at different frequencies that better constrained the tracer distribution in the subsurface. Consequently, this framework allows for practitioners of environmental hydrogeophysics and biogeophysics to monitor the subsurface with improved resolution.

54 ENVIRONMENTAL SCIENCES↗

Biocatalytic Yarn for Peroxide Decomposition with Controlled Liquid Transport

In this study, a robust biocatalytic yarn with controllable liquid transport properties is created by coating thin layers of chitosan containing catalase onto a cellulosic yarn. The resulting material integrates enzyme catalytic functionality with protective coating properties of chitosan and structural functionality of the textile. Mild immobilization conditions and good affinity between the two polysaccharides minimize enzyme inactivation during the preparation steps and prevent enzyme from leaching during peroxide decomposition testing and washing, providing a novel and versatile enzyme immobilization strategy. The catalytic efficiency of enzymes in a reaction containing solid, liquid, and gas phases is facilitated when dissolved enzyme substrate is transported by liquid flowing through the coated textile structure. The flow-through configuration decomposes at least two times more peroxide in a twenty-times smaller reaction zone volume compared to a stirred tank configuration. Liquid transport through the yarn and liquid spatial distribution within the yarn are investigated by in situ neutron radiography and neutron computed tomography, revealing a constrained wicking mechanism that benefits biocatalytic yarn performance. This new class of sustainable and flexible biocatalytic textile matrices has beneficial multifunctional properties, not previously described, that are applicable for numerous small- and large-scale applications including controlled flow reactors and reactive filtration.

36 MATERIALS SCIENCE↗

Computational design of microarchitected porous electrodes for redox flow batteries

Porous electrodes are used as the core reactive component across electrochemical technologies. In flowing systems, controlling the fluid distribution, species transport, and reactive environment is critical to attaining high performance. However, conventional electrode materials like felts and papers provide few opportunities for precise engineering of the electrode and its microstructure. To address these limitations, architected electrodes composed of unit cells with spatially varying geometry determined via computational optimization are proposed. Resolved simulation is employed to develop a homogenized description of the constituent unit cells. These effective properties serve as inputs to a continuum model for the electrode when used in the negative half-cell of a vanadium redox flow battery. Porosity distributions minimizing power loss are then determined via computational design optimization to generate architected porosity electrodes. The architected electrodes are compared to bulk, uniform porosity electrodes and found to lead to increased power efficiency across operating flow rates and currents. The design methodology is further used to generate a scaled-up electrode with comparable power efficiency to the bench-scale systems. Finally, the variable porosity architecture and computational design methodology presented here thus offers a novel pathway for automatically generating spatially engineered electrode structures with improved power performance.

25 ENERGY STORAGE↗

Bed form-induced hyporheic exchange and geochemical hotspots

Small-scale bed form topographies control hyporheic exchange and biogeochemical processes within aquatic sediments, which ultimately affect water quality and nutrient cycling at the watershed scale. The impact of three-dimensional and small-scale bed form topographies on hyporheic exchange and solute mixing is investigated in the present work. The effect of bed form morphologies on the development of zones of enhanced reaction rates (i.e., hotspots) is also studied. A computational fluid dynamics model to simulate river flow over bed forms is combined with a subsurface flow and multicomponent reactive solute transport model. A wide variety of bed form topographies are generated using geometric models by varying parameters controlling curvature as well as bed form wavelength and amplitude. The results in this research suggest that out-of-phase bed forms generate more complex hyporheic flow patterns which reduce the efficiency of solute transformations. Higher phase shifts in bed form shapes result in overall higher average velocity, larger zones of enhanced pressure and reaction rates, and higher amounts of solute exchange. Moreover, the bed form shapes control the reaction process for a wide range of sediment conductivities. Here this study advances the understanding of the effects of complex and small scale morphological features on hyporheic exchange processes including the rate and spatio-temporal distribution of reaction hotspots.

54 ENVIRONMENTAL SCIENCES↗

Interactions between molecular-scale processes and hyporheic exchange for understanding Fe-S-C cycling in riparian wetlands (Final Report)

Wetlands represent some of the most productive ecosystems on the planet and critically influence global environmental health. Specifically, wetlands promote water quality by transforming nutrients and organic compounds and sequestering metals and contaminants. Riparian wetland hyporheic zones, where toxic surface water and anoxic groundwater mix, exhibit dynamic conditions that drive steep redox gradients and promote hotspots of diverse and fluctuating microbial activity. Changes in climate, water quality, and water quantity can disturb hydrologic flow and biogeochemical processing in these environments. Understanding how sulfate loading, impacted by hydrologic flux and anthropogenic inputs, influences iron and carbon cycling in wetlands will be crucial for predicting water quality issues driven by iron mineral precipitation and sorption, such as the release of heavy metals and other toxic elements. We used a fully integrated multi-scale and multi-method approach to develop a mechanistic understanding of how hydrologic flow influences coupled iron and sulfur cycles in riparian wetlands. This entailed hydrological, geochemical, and microbial observations at two locations: an anthropogenic sulfate-impacted riparian wetland in northern Minnesota, and a low-sulfate Fe-rich riparian wetland in Tims Branch at the Savannah River Site (SRS). These sites were characterized by hydrologically dynamic conditions where the stream and wetland systems oscillated between gaining (upward flow) and losing (downward flow) conditions that recharged the system occasionally with oxidants that fueled a variety of biogeochemical reactions. Aqueous geochemical measurements of surface water, groundwater, and porewater samples were made alongside solid-phase geochemical analyses of sediment gravity cores. Bulk X-ray absorption spectroscopy at the Advanced Photon Source (APS; Argonne) interrogated the speciation and distribution of Fe and S mineral phases of the sediments. Interestingly, it was discovered that, despite strongly reducing conditions, Fe(III) compounds and a variety of intermediate valence S compounds were stable in the subsurface. Indeed, compounds like thiosulfate, S(0), and intermediate valence organosulfur compounds were more prevalent than FeS and pyrite. The composition of the sediments did change with changes in hydrologic flow, showing their reactivity in changing redox conditions. The abundance of these intermediate S compounds was likely formed as a result of anaerobic oxidation by aqueous and solid-phase Fe(III) compounds, fueling a cryptic S cycle that is driving the breakdown of organic matter in the hyporheic zone. Microbiome surveys showed a core community that seemed stable across the landscape, but changed with increasing depth into the sediment. The community composition did not seem to change dramatically with changes in season or hydrologic flow, except for some organisms that have the potential to contribute to S cycling. More work is needed to confirm their functional activity. These fine process-scale analyses were placed within a dynamic field context using physical flow parameters from surface water and groundwater level measurements. These data helped shed light on sulfur-driven biogeochemical processes in hydrologically dynamic riparian wetlands, addressing a gap in our understanding about the impacts of pollution and other anthropogenic changes on ecologically sensitive environments.

54 ENVIRONMENTAL SCIENCES↗

Design and evaluation of a dilute flow particle-to-air heat exchanger for energy storage applications

The use of inert and redox-active particles for high-temperature energy storage requires the development of components that can efficiently transfer energy to high-pressure working fluids like supercritical carbon dioxide (sCO 2 ). Dilute flow reactors can enable high working fluid outlet temperatures and minimal parasitic losses compared to moving packed bed and fluidized bed reactors. This research uses both computational and experimental methods to explore the design trade-offs and practical challenges of a novel component for transferring energy from dilute flows of hot, reduced metal oxide (MO x ) particles to sCO 2 in tubes. A discretized thermal resistance network model, which accounts for particle hydrodynamics, multi-mode heat transfer, and reaction equilibrium, guides the design of a prototype device. This device is experimentally tested with a surrogate heat transfer fluids and inert particle temperatures up to 400°C and a heat duty exceeding 1 kW. The data are used to validate the thermal hydraulic sub-models, allowing for the simulation of reacting particle scenarios. Under nominal design conditions, the flow rate of reactive particles is predicted to be 30% lower than that of inert particles for the same energy recovered, with over 70% of the stored particle energy transferred to the sCO 2 . Furthermore, these findings can inform the design of more efficient energy recovery reactors for particle-based systems and can be integrated into system-level concentrated solar power models with thermal storage to optimize operating conditions.

14 SOLAR ENERGY↗

Supersonic flameholding by attached oblique shock waves

The object of this investigation was to explore various regimes of shock-induced combustion that may occur as a result of supersonic flow of a reactive gas mixture past a simple compression ramp or wedge. Attention was confined to combinations of wedge angles, fuel-air mixture ratios and freestream velocities that permit the resulting oblique shock or oblique detonation wave to remain attached. Computational fluid dynamic (CFD) simulations, both inviscid and viscous, were performed and analyzed in order to investigate two modes of compression ramp flameholding; namely, complete oblique detonation wave (ODW) and shock-induced combustion. In addition, the possibility of flame persistence or hysteresis was explored. It was preliminarily concluded that inclusion of viscous effects may be essential to accurately predict the occurrence of the various flameholding modes.

Fort, James A.↗

Water Ice and Life's Roots in Space

Nearly three decades ago as Voyager 2 spacecraft raced out of the Solar System. NASA engineers turned its camera arm around (at the request of the American astronomer Carl Sagan) to take a parting snapshot of Earth. Earth's image was a single pale blue pixel, its color caused by the Rayleigh scattering of sunlight in the water of our oceans. Earth is a water planet, and this is the color of life. No matter how far we travel on our planet, no matter how high or deep, if we find liquid water, we find some form of life that manages to survive there. And yet there is a cruel irony. Water in its solid crystalline form is hostile to life. Organisms can roost in geysers, wallow in brine and gulp down acid, but they cowered from ice. The rigid ordering of water molecules in ice crystals expels impurities and tears organic tissue beyond repair. In fact, about the only good thing you can say about ice is that it gets out of the way: Its low density ensures that it floats and leaves the water dwelling creatures in peace. Recent discoveries have caused us to rethink this basic premise. New lines of evidence both observational and experimental - suggest that prebiotic organic compounds are not only comfortable in, but in fact had their origin in a peculiar form of solid water ice that is ubiquitous in interstellar space, but completely absent from Earth. Only recently have we been able to create even submicroscopic quantities of this ice in terrestrial laboratories, yet it constitutes the most abundant form of water in the universe. Interstellar ice is a far cry from the ice we are so familiar with on Earth. This interstellar ice has no crystalline structure, and despite the fact that its temperature is a scant few degrees above absolute zero (where all molecular motion ceases), it is highly reactive and can flow like water when exposed to radiation. It is in fact this ice's similarity to liquid water that allows it to participate in the creation of the very first organic compounds.

Blake, David↗

Analysis of the Reactive CO 2 Surface Flux in Electrocatalytic Aqueous Flow Reactors

We study how the mass transfer of a chemical species in shear flow is suppressed by the production of a second species that partially reacts away the first species. The second species is produced at the surface with the first species as a reactant. Our work is directly motivated by electrochemical CO 2 reduction in aqueous flow reactors, where OH– molecules generated by the CO evolution reaction react away CO 2 molecules, ultimately inhibiting the mass transfer of CO 2 to the cathode surface. We derive a simple approximation of the Sherwood number, a dimensionless measure of the mass flux into the surface, as a function of the Péclet number, surface Damköhler number, and bulk Damköhler number, and we compare our approximation to numerical solutions of the governing equations. We find that in the diffusion-limited regime, the Sherwood number is well described by the classical Graetz-Lévêque result reduced by a reaction factor due to the competing bulk reaction; with the stoichiometry relevant to electrochemical CO 2 reduction, this reaction factor is 1/2. While the model problem we solve provides insight into how OH– production affects CO 2 mass transfer, experimental systems often involve more complex chemistry. We thus also show how a common buffered electrolyte, KHCO 3 , affects our results.

30 DIRECT ENERGY CONVERSION↗

Geologic hydrogen as an emerging fuel: experimental insights, thermodynamics, kinetics, and reactive transport modeling

Geologic hydrogen (GeoH 2 ) is emerging as a viable clean energy source. It is largely produced through serpentinization, a geological process in which ultramafic rocks react with water under suitable temperature and pressure. Here, this review synthesizes the current understanding of H 2 generation by serpentinization, with an emphasis on reaction mechanisms, kinetics, and thermodynamics, as well as on modeling flow and transport of reacting fluids in geological formations. We describe the role of mineral assemblages, such as olivine and pyroxene, fluid-rock interactions, and catalytic surfaces, in influencing GeoH 2 yield and reaction rates. By integrating models of reaction kinetics, subsurface reactive flow and transport, and the serpentinization process, and by accounting for the thermodynamic state of the system, this review aims to guide future GeoH 2 research and to evaluate the potential of natural hydrogen as a sustainable clean energy source.

Moradi, Rasoul [Univ. of Southern California, Los ↗