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

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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Evaluation of adsorption and mechanical strength of 13X zeolite mixtures with phyllosilicate binders using molecular dynamics simulation and positron annihilation spectroscopy

There is growing interest in developing zeolites with novel internal structures that have optimal adsorptive capacity and high mechanical strength, while offering advantages, such as being light weight. We integrate computational and experimental methods to explore the effect of binder/zeolite types, and weight percentages on the mechanical strength of 13X zeolite and adsorption capacities of N 2 , H 2 O, and CO 2 for additive manufacturing (AM) applications with the goal of maximizing both adsorption and strength. Zeolite 13X mixtures and phyllosilicate binders (either bentonite or kaolin) are combined using molecular dynamics (MD) simulations to create structures with various binder/zeolite weight percentages. Further, adsorption capabilities and mechanical strength are assessed using the grand canonical Monte Carlo (GCMC) and ReaxFF modules, respectively. Our modeling shows that an optimized zeolite/binder ratio for N 2 adsorption is around 15 wt% for kaolin and roughly 10 wt% for bentonite. The resulting parameters can be applied to facilitate macro-scale computational fluid dynamics (CFD) and finite element method (FEM) simulations of an AM zeolite structure. We also performed Positron Annihilation Lifetime Spectroscopy (PALS) measurements on zeolite samples to explore the effect of changes in the internal volume. The results show an inverse relationship between the free volume and the solid loading and adding a binder changes the morphology of the zeolite-binder compound and decreases open-volume area significantly.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A CONDUCTION-BASED HEAT PIPE MODEL FOR ANALYZING THE ENTIRE PROCESS OF LIQUID-METAL HEAT PIPE STARTUP

The Heat Pipe-cooled Microreactor (HPM) is one of the micro nuclear reactor designs under active study at the U.S. Idaho National Laboratory. Among the major concerns of HPM research is to understand the startup behavior of the heat pipe-cooled system associated with the startup of the liquid-metal heat pipes initialing from frozen state. The startup of liquid-metal heat pipes typically involves a number of nonlinear mass and heat transport processes including the phase change from solid to liquid and vapor. Hence, it is still a huge challenge to simulate the liquid-metal heat pipe startup using conventional CFD methods and software. The major difficulties of numerical CFD modeling come from the phase-change process, multiphase interaction, microporous wick flow, and compressible gas dynamics that occur during startup of the liquid-metal heat pipes. This paper proposes a simplified conduction-based method to provide practical insights into the entire startup process of the liquid-metal heat pipes while mitigating the challenges of addressing all the complex physics. We discuss the theoretical basis and modeling assumptions to analyze the liquid-metal heat pipe startup from frozen state based solely on heat-conduction equations. Then, the proposed model is implemented into the commercial CFD software to verify the model performance. The model prediction results are discussed via the comparison with the experimental data obtained from sodium heat-pipe startup experiments.

42 ENGINEERING↗
DOE OSTI2024

Optimal Control of SOEC-Based Hydrogen Production Systems for Demand Response Using Deep Reinforcement Learning in Smart Grids

Solid oxide electrolysis cell (SOEC) hydrogen production technology can range in size from small, appliance-size equipment to large-scale, central production facilities that can be tied directly to renewable or non-greenhouse-gas-emitting forms of electricity production, making it an ideal resource for demand response (DR). The SOEC hydrogen production system is a complex integrated system that encompasses fluid dynamics, electrical dynamics, and electrochemical and thermal dynamics, all of which involve non-linearity and non-convexity. Proper control of the SOEC hydrogen production system is crucial to enable its participation in the DR program. Here, to overcome the difficulty of designing an explicit control law for such nonlinear systems with nonconvex optimization features in DR applications, deep reinforcement learning (DRL) is explored to achieve the optimal control of the SOEC system for DR participation. Specifically, a twin delayed deterministic policy gradient (TD3) control framework is applied to achieve optimal response performance during DR events by considering power tracking error and hydrogen production efficiency with a suitable reward function. Two case studies with grid connections for tracking different DR commands were investigated. The first case study involved operating conditions reaching the boundaries, while the second involved operating conditions within the boundaries. The results showed that the proposed DRL-based control for SOEC can track the DR signal in a timely manner while maintaining high energy efficiency.

08 HYDROGEN↗
DOE OSTI2022

Design of a gas-solid-solid separator to remove ash from circulating fluidized bed reactors

Cyclones are one of the most common types of gas-solid separators used in circulating fluidized bed boilers. However, cyclones typically do not allow ash to leave the system through the cyclone exit, causing ash to build up in the fluidized bed and necessitating additional systems to remove ash that builds up in the bed. In this study, an alternative “disengager” gas-solid separator is proposed as a way of inherently separating small and large solids, resulting in a gas-solid-solid separation system where ash is allowed to leave the system along with gas while the desired fluidized bed material is retained. Unlike cyclones, which rely on centrifugal force to separate solids and gas, the disengager separates based on entrainment velocity of the particles. Upwards-flowing gas and particles strike a deflection plate and enter the disengaging chamber where particles with low terminal velocity such as ash fines flow with the gas, while larger particles such as sand fall to the bottom of the separator and are returned to the fluidized bed. In this study, several different proposed disengager configurations are simulated and compared to a typical cyclone using computational fluid dynamic (CFD) simulations. Furthermore, it was found that separation efficiency in the disengager is strongly influenced by the size of the deflection plate, rather than by the size of the unit itself. The predicted separation efficiency showed that compared to a cyclone, the disengager design allows significantly more ash to exit the system but retains a similar amount of desirable material. Additionally, the disengager was predicted to not suffer significantly more erosion that a cyclone.

42 ENGINEERING↗
DOE OSTI2021

Carbon fiber synthesis from pitch: Insights from ReaxFF based molecular dynamics simulations

Despite the potential to lowering fabrication costs of pitch-based carbon fiber (CF) compared to polyacrylonitrile-based CF, large scale utilization is currently limited by the complexity in manufacturing. This is mainly due to the lack of consistency between the pitch structure/chemistry and CF properties under different processing conditions. Here, we employed full atomistic simulations based on reactive force fields to investigate the conversion of pitch precursors to CFs. Additionally, it was found that at the carbonization stage, the consumption rates of precursors, gas formations, and solid yields (carbonized CFs) are all dependent on the composition and arrangement of molecular moieties in the precursor. Specifically, precursors with sp 3 carbons in the cata-condensed core area have limited decomposition pathways (i.e., limited reaction sites), which leads to the formation of carbonized CFs with similar compositions. Furthermore, carbonized CFs possess distinct structural characteristics, and finally lead to the formation of CFs with different moduli. By analyzing CF crystallinity and elemental composition, general rationales are proposed for the selection of optimal precursors and processing conditions, and thus shed lights on parameter screening during industrial CF synthesis. For instance, inclusion of sp 3 carbons in cata- condensed rings can be preferred over the presence of sp 3 carbons on side chains.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2023

Computational Study of Mixing Solid Materials for CO2 Capture Technology

CO2 is one of the major combustion products that, once released into the air, can contribute to global climate change. Solid sorbents have been reported as promising candidates for CO2 sorbent applications due to their high CO2 absorption capacities at moderate working temperatures. By combining thermodynamic database mining with first-principles density functional theory and phonon lattice dynamics calculations, the National Energy Technology Laboratory has proposed and validated a theoretical screening methodology to identify the most promising CO2 sorbent candidates from a vast array of possible solid materials. The advantage of this method is that it identifies the thermodynamic properties of the CO2 capture reaction as a function of temperature and gas pressure without any experimental input beyond crystallographic structural information of the solid phases involved. The calculated thermodynamic properties of solid materials versus temperature and pressure changes were further used to evaluate the equilibrium properties for the CO2 adsorption/desorption cycles. The selected CO2 sorbent candidates were further considered for experimental validations. In this presentation, the results of M2O/Al2O3 (M=Li, Na, K) mixtures (MAlO2 and M5AlO4) capturing CO2 will be demonstrated in detail.

Duan, Yuhua↗
DOE OSTI2023

Experimentally simulated sea level rise destabilizes carbon-mineral associations in temperate tidal marsh soil

How sea level rise (SLR) alters carbon (C) dynamics in tidal salt marsh soils is unresolved. Changes in hydrodynamics could influence organo-mineral associations, influencing dissolved organic carbon (DOC) fluxes. As SLR increases the duration of inundation, we hypothesize that lateral DOC export will increase due to reductive dissolution of C-bearing iron (Fe) oxides, destabilizing soil C stocks and influencing greenhouse gas emissions. To test this, soil cores (0–8 cm depth) were collected from the high marsh of a temperate salt marsh that currently experiences changes in water level and soil redox oscillation due to spring-neap tides. Mesocosms experimentally simulated SLR by continuously inundating high marsh soils and were compared to mesocosms with Control conditions, where the water level oscillated on a spring-neap cycle. Porewater DOC, lateral DOC, and porewater reduced Fe (Fe 2+ ) concentrations were significantly higher in SLR treatments (1.7 ± 0.5 mM, 0.63 ± 0.14 mM, and 0.15 ± 0.11 mM, respectively) than Control treatments (1.2 ± 0.35 mM, 0.56 ± 0.15 mM, and 0.08 ± 01 mM, respectively Solid phase analysis with Fe extended X-ray absorption fine-structure spectroscopy further revealed that SLR led to > 3 times less Fe oxide-C coprecipitates than Control conditions In addition, the overall global warming potential (GWP) decreased under SLR due to suppressed CO 2 emissions. Our data suggest that SLR may increase lateral C export of current C stocks by dissolving C-bearing Fe oxides but decrease the overall GWP from emissions of soil trace gases. Finally, these findings have implications for understanding the fate of SOC dynamics under future SLR scenarios.

dissolved organic carbon↗
DOE OSTI2021

A simulation-based parametric study of CLOU chemical looping reactor performance

Chemical looping with oxygen uncoupling (CLOU) is a variant on chemical looping combustion in which the oxygen carrier releases gaseous O 2 in the fuel reactor, making it well-suited for solid fuels, since the released gaseous O 2 readily reacts with solid char. This work presents several computational fluid dynamic (CFD) simulations of copper-based CLOU in a dual fluidized bed system, each with different operating conditions. The modeling predicted that coal particle sizes as large as 1000 μm did not significantly affect performance. Increased oxygen carrier copper loading resulted in an excess of gaseous oxygen in the product gas stream. Decreasing the oxygen carrier bed mass as well as reducing the air reactor fluidizing velocity did not supply enough oxygen to the fuel reactor to complete combustion of the coal. This generated a failure state in which the temperature continued to decrease in the fuel reactor from the lack of combustion, which in turn reduced the O 2 equilibrium partial pressure, further lowering the amount of combustion possible. Sufficient O 2 can be maintained in the fuel reactor by ensuring a high enough air reactor velocity and a large enough supply of oxygen carrier inventory to handle the chosen coal feed rate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Insights into scale translation of methane transport in nanopores

Accurate prediction of flow behavior in shale matrix is critical for efficient development of shale gas reservoirs. In these systems, the majority of pores are in the nano-size range. As a result, continuum-based approaches may not be appropriate to simulate flow in such systems. Molecular dynamics (MD) simulations are capable of capturing the relevant microscale physics. Their relatively high computational expense, however, restricts MD simulations to rather small systems and domains. This limitation creates a gap between computational need of macroscale systems and capabilities of MD simulations. The lattice Boltzmann method (LBM) is a suitable candidate to bridge this gap. In this work, the multiple-relaxation-time (MRT)-LBM is used to study methane transport in nano-size pores. Adsorption effects near solid boundaries, as well as non-ideal behavior of fluids, are accounted for via incorporating appropriate force terms in LBM. In this work, parameters associated with the force terms in the equation of state are studied in detail, and a workflow is proposed to determine optimal values of these parameters for gas flow in slit pores. Specifically, we establish these parameters such that the range of density values that the model is able to simulate is maximized. We demonstrate this workflow by simulating gas flow where velocity and density profiles from MD simulations are used as reference data. Results from LBM simulations are in good agreement with MD reference data for pores that are 4 nm in width or larger. Moreover, we propose a preconditioning scheme to improve the stability of LBM in dealing with complex geometries. The robustness of this scheme is demonstrated by simulating several roughness geometries. This work motivates the use of LBM in scale translation of the physics of mass transport in more complex permeable media.

03 NATURAL GAS↗
DOE OSTI2020

Geochemistry and Microbiology Predict Environmental Niches with Conditions Favoring Potential Microbial Activity in the Bakken Shale

The Bakken Shale and underlying Three Forks Formation is an important oil and gas reservoir in the United States. The hydrocarbon resources in this region are accessible using unconventional oil and gas extraction methods, including horizontal drilling and hydraulic fracturing. However, the geochemistry and microbiology of this region are not well understood, although they are known to have major implications for productivity and water management. In this study, we analyzed the produced water from 14 unconventional wells in the Bakken Shale using geochemical measurements, quantitative PCR (qPCR), and 16S rRNA gene sequencing with the overall goal of understanding the complex dynamics present in hydraulically fractured wells. Bakken Shale produced waters from this study exhibit high measurements of total dissolved solids (TDS). These conditions inhibit microbial growth, such that all samples had low microbial loads except for one sample (well 11), which had higher 16S rRNA gene copies. Our produced water samples had elevated chloride concentrations typical of other Bakken waters. However, they also contained a sulfate concentration trend that suggested higher occurrence of sulfate reduction, especially in wells 11 and 18. The unique geochemistry and microbial loads recorded for wells 11 and 18 suggest that the heterogeneous nature of the producing formation can provide environmental niches with conditions conducive for microbial growth. This was supported by strong correlations between the produced water microbial community and the associated geochemical parameters including sodium, chloride, and sulfate concentrations. The produced water microbial community was dominated by 19 bacterial families, all of which have previously been associated with hydrocarbon-reservoirs. These families include Halanaerobiaceae, Pseudomonadaceae, and Desulfohalobiaceae which are often associated with thiosulfate reduction, biofilm production, and sulfate reduction, respectively. Notably, well 11 was dominated by sulfate reducers. Our findings expand the current understanding of microbial life in oil and gas related environments, provide new insights into how the unique produced water conditions shape microbial communities, and demonstrate thatproduced water chemistry is tightly linked with microbiota in the Bakken Shale. Finally, our study shows that additional research efforts are necessary to understand this ecosystem and highlights the need for work in other unconventional reservoirs.

Tinker, Kara↗
DOE OSTI2023

Probing the Morphology and Mobility of Amines in Porous Silica CO 2 Sorbents by 1 H T 1 – T 2 Relaxation Correlation NMR

Molecular and oligomeric amines supported in porous oxide supports are a promising class of CO 2 sorbent materials studied for CO 2 removal from diverse streams such as flue gas and ambient air. Among the various amines investigated, low molecular weight, hyperbranched poly(ethyleneimine) (PEI), and tetraethylenepentamine (TEPA) are among the most extensively studied. While macroscopic structure–performance relationships relating the support structure, amine loading, and other factors affecting CO 2 sorption capacities and kinetics have been developed, structural and dynamic information about the organic amine phase in the porous support is less plentiful. The structure and mobility of amines impregnated in the pores of porous supports directly impact gas sorption, as the accessibility of amine sites in the pores directly relates to amine distribution in the pores and overall pore filling as well as the dynamics of the amine chains. Here, we prepare a family of mesoporous silica SBA-15 materials containing varying loadings of oligomeric (PEI) and molecular (TEPA) amines. 1 H T 1 –T 2 relaxation correlation solid-state NMR experiments are used to characterize the structural and dynamic properties of the confined amines. Both TEPA and PEI are shown to form multiple different domains in the pores, each with distinguishable dynamic properties. TEPA and PEI form more rigid layers around the silica support walls at lower organic loading fractions, characterized by lower mobilities, followed by the formation of more mobile domains less engaged in pore wall interactions at higher loadings. TEPA shows faster mobilities than PEI because of its lower molecular weight. TEPA also appears to more easily transfer between domains within the pores, leading to generally faster CO 2 uptake rates with higher sorption capacities, while PEI located closer to the pore walls remained much less mobile and is thus less engaged in CO 2 capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Design of Novel Flash Ironmaking Reactors for Greatly Reduced Energy Consumption and CO2 Emissions

The development of a novel ironmaking technology based on fine iron ore concentrate in a flash reactor is summarized. The design of potential industrial reactors for flash ironmaking based on the computational fluid dynamics technique is described. Overall, this simulation work has shown that the size of the reactor used in the novel flash ironmaking technology (FIT) can be quite reasonable vis-à-vis the blast furnaces. A flash reactor of 12 m diameter and 35 m height with a single burner operating at atmospheric pressure would produce 1.0 million tons of iron per year. The height can be further reduced by either using multiple burners, preheating the feed gas, or both. The computational fluid dynamics (CFD)-based design of potential industrial reactors for flash ironmaking pointed to a number of features that should be incorporated. The flow field should be designed in such a way that a larger portion of the reactor is used for the reduction reaction but at the same time excessive collision of particles with the wall must be avoided. Further, a large diameter-to-height ratio that still allows a high reduction degree should be used from the viewpoint of decreased heat loss. This may require the incorporation of multiple burners and solid feeding ports.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Technical Assessment of Off-Gas System Technologies for Potential Use in Molten Salt Reactors

Molten salt reactors (MSRs) are a class of Generation IV advanced reactor technologies aimed to enhance and improve the safety, fuel utilization and cost-effectiveness of nuclear power generation. MSR concepts are based on using a molten salt mixture as a primary nuclear reactor coolant, while the fuel can be either directly dissolved in the coolant (i.e., fluid-fueled) or can be in a separate solid form (i.e., salt-cooled solid-fueled). MSRs can be operated in either thermal or fast neutron spectra, as simple fissile convertors, or breeder reactors (e.g., utilizing both fissile and fertile fuels), as well as accelerator-driven sub-critical reactors or transuranic element burners. Operation of MSRs will necessitate management and treatment of the off-gas streams released to the headspace of the reactor where, in some designs, a cover gas can be circulated to remove certain fission products and maintain an inert atmosphere. An inert MSR cover gas swept over or sparged into the salt will confine radionuclides emerging from the free surface, including radioactive noble and non-noble gases, aerosols, and volatile species. The elements and compounds of these species will have a wide range of thermochemical and physical properties, some of which will decay to different products in the off-gas stream. Therefore, system components used to manage and treat MSR off-gas streams will need to be robust under dynamic reactor and chemistry conditions to support adequate reactor performance by managing the composition and species in the salt coolant and cover gas space. Off-gas system components would perform as a radionuclide boundary to the reactor vessel and a primary means for preventing radionuclide release; therefore, they are of high safety significance for MSR operations. This report reviews various technologies and materials for potential implementation in the design of an MSR off-gas system per a general conceptual framework. The reviewed technologies operate based on scrubbing, capture, delay, or separation of species in the off-gas stream. These include molten hydroxide scrubbers, solid sorbents, delay off-gas systems, particle traps, and cryogenic distillation. Since aspects of an off-gas system will be design-specific, the approach is to provide general discussions on attributes of these technologies and materials, including target off-gas stream species, operational parameters and conditions of importance to decontamination factors, implementation maturity, system component monitoring, potential off-normal conditions and considerations for waste products. The information aims to support the U.S. Nuclear Regulatory Commission in their safety evaluations for MSR designs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Full-Loop Simulation of the Combustion of Biomass in a Circulating Fluidized Bed Combustor

Interest in circulating fluidized bed (CFB) boilers as a power generation technology has skyrocketed in recent years because of several advantages this technology offers over conventional boilers, such as increased gas-solid mixing, which results in higher combustion efficiency, and the ability to use lower rank fuels. CFB combustors are operated at lower temperatures than conventional thermal power generation combustors, thus reducing NO x emissions, while SO 2 emissions can be conveniently controlled through the addition of Ca-based sulfur sorbents within the combustor. This report summarizes the development of a comprehensive computational fluid dynamics (CFD) model for biomass combustion in a 50 kW th CFB combustor employing the multiphase particle-in-cell (PIC) approach in the open-source Multiphase Flow with Interphase eXchanges (MFiX) Software Suite at the U.S. Department of Energy (DOE) National Energy Technology Laboratory (NETL). The experimental combustor was designed, built, and operated at CanmetENERGY, Natural Resources Canada in Ottawa, Canada. This work is the culmination of a multi-year collaboration between NETL and CanmetENERGY. The hydrodynamics in the full loop are validated against cold-flow experiments conducted at CanmetENERGY. To mimic the dense packing in the standpipe in the absence of a collisional model in the MFiX-PIC approach, the ram valve in the return leg is partially closed to obstruct the flow. A combustion reaction scheme was developed that considers the volatiles released by the fuel as a lumped species that fully converts to CO 2 and H 2 O. The so-called enhanced simplified combustion scheme produces an excellent match with experimental data in terms of the species concentrations of CO 2 and O 2 at the outlet and the freeboard, demonstrating the utility of the comprehensive model for a range of flow conditions and operating temperatures. Furthermore, the model can be readily adapted to simulate combustion of a variety of biomass fuels as well as co-fired systems under air and oxy-fuel conditions.

09 BIOMASS FUELS↗
DOE OSTI2019

Hydrogen Uptake Kinetics of 1,4-Bis(phenylethynyl)benzene (DEB) Rubberized Coating on Silicone Foam Substrate

The hydrogen uptake kinetics of 1,4-bis(phenylethynyl)benzene, or DEB, mixed with palladium (Pd) on activated carbon in a rubber matrix coating on top of a porous silicone foam substrate are investigated. First, isothermal isobaric hydrogenation experiments were performed under different temperatures and H 2 pressures to extract the uptake kinetics. The H 2 uptake models based on the measured kinetic parameters were then employed to investigate/simulate the performance of the getter under dynamic application environments. The actual hydrogenation characteristics in this type of getter is multifaceted and involve actual H 2 concentration in the getter matrix, micrometer scale diffusion of atomic hydrogen away from Pd sites, precipitation of hydrogenated DEB crystals at the coating surfaces, and mobility of fresh DEB molecules. The kinetic analysis/modeling methodology described in this report can serve as a template for other gas-solid reactions as well. Aside from possessing a good hydrogen capacity and excellent performance, this type of rubberized getter also offers some unique advantages over traditional solid getter: flexible structure and protection of Pd catalyst from exposure to the environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

CFD Simulation of Biomass Pyrolysis Vapor Upgrading over a Pt/TiO 2 Catalyst in Fixed and Moving Beds

This report presents a comprehensive computational fluid dynamics (CFD) study of the biomass pyrolysis vapor phase upgrading and the catalyst regeneration in different reactors under various operational conditions. This study used the open-source software Multiphase Flow with Interphase eXchanges (MFiX), developed at National Energy Technology Laboratory (NETL) for simulating hydrodynamics, heat transfer, and chemical reactions in multiphase systems. This simulation solved the conservation of mass, momentum, energy, species for gas and solid phases with chemical reactions.

09 BIOMASS FUELS↗
DOE OSTI2021

The Role of Early Giant-planet Instability in Terrestrial Planet Formation

The terrestrial planets are believed to have formed by violent collisions of tens of lunar- to Mars-size protoplanets at time t < 200 Myr after the protoplanetary gas disk dispersal (t {sub 0}). The solar system giant planets rapidly formed during the protoplanetary disk stage and, after t {sub 0}, radially migrated by interacting with outer disk planetesimals. An early (t < 100 Myr) dynamical instability is thought to have occurred with Jupiter having gravitational encounters with a planetary-size body, jumping inward by ∼0.2–0.5 au, and landing on its current, mildly eccentric orbit. Here we investigate how the giant-planet instability affected the formation of the terrestrial planets. We study several instability cases that were previously shown to match many solar system constraints. We find that resonances with giant planets help to remove solids available for accretion near ∼1.5 au, thus stalling the growth of Mars. It does not matter, however, whether the giant planets are placed on their current orbits at t {sub 0} or whether they realistically evolve in one of our instability models; the results are practically the same. The tight orbital spacing of Venus and Earth is difficult to reproduce in our simulations, including cases where bodies grow from a narrow annulus at 0.7–1 au, because protoplanets tend to spread radially during accretion. The best results are obtained in the narrow-annulus model when protoplanets emerging from the dispersing gas nebula are assumed to have (at least) the mass of Mars. This suggests efficient accretion of the terrestrial protoplanets during the first ∼10 Myr of the solar system.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Potassium carbonate decomposition modeling within rotating detonation engines for direct power extraction applications

We report that recently, there has been a significant interest in detonation-based combustion systems, such as rotating detonation engines (RDE), due to potential performance advantages in propulsion and energy applications. This includes improvements in thermodynamic efficiency, inherently high gas velocities, and the possibility of achieving an increase in total pressure (i.e. pressure gain) through the combustion process. Due to approximating a constant volume combustion process, these devices also tend to exhibit extremely high local gas temperatures relative to a comparable constant pressure combustor. These advantages overlap well with desirable performance characteristics of direct power extraction (DPE) technologies, such as a magnetohydrodynamic (MHD) generator. Typically, in DPE systems hot combustion products are seeded with an easily ionizable material such as potassium carbonate (K 2 CO 3 ) in order to boost the electrical conductivity. However, due to the short gas residence times within an RDE, it was unclear whether forming an electrically conductive combustion plasma would be feasible for integration with a downstream MHD generator. A model is presented which describes the heating, decomposition, and ionization of solid K 2 CO 3 particles and aqueous solutions of K 2 CO 3 in water, for a given initial particle diameter. This model was combined with available computational fluid dynamics (CFD) data for an oxygen-methane RDE in a one-way coupled Eulerian-Lagrangian framework to predict particle trajectories and the corresponding heating, decomposition, and ionization histories. Electrical conductivities were computed using a previously developed model, and a method was proposed to determine an equivalent average electrical conductivity. Results show that particle sizes below ~30 µm are able to fully decompose before reaching the exit of the RDE. While the one-way coupled nature of the simulations precluded rigorous evaluation of the effects of seed material on detonability, a substantial temperature reduction is expected at the detonation wave front due to heating and decomposition. A preliminary comparison is presented between the RDE and an equivalent constant pressure adiabatic combustor, showing a potential performance advantage for the RDE.

42 ENGINEERING↗