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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Multidimensional simulations of Mckenna-driven flow tube configuration: Investigating non-ideality in NO x formation flow tube experiments

Multidimensional simulations have been conducted to simulate atmospheric pressure, flat-flame/McKenna-burner-driven-flow tube experiments targeted to obtain NO x speciation data for predicting/analyzing syngas combustion emissions. In a prior work, we demonstrated the impacts of multidimensional transport on post flame region prediction departures from those assuming unidimensional flow/transport conditions. In this work, we develop and utilize a multidimensional laminar reacting flow solver to simulate the fully coupled flame and post flame regions to further elucidate the impacts of the earlier unidimensional modeling assumptions on interpreting post flame NO x experimental data. The model is used to simulate a lean, premixed syngas/air flame and its associated post flame regions within a cylindrical flow-tube-like arrangement. The combustion process takes place under atmospheric condition with trace amount of NO x seeding fed into the inlet gas stream. The spatial evolution of NO x species (NO and NO 2 ) in the flame and in the post-combustion zone suggests two distinct regions: 1) a region encompassing the flame structure itself; and 2) a post flame region in which the temperature decays due to both axial and radial transport processes. The predictions show that for the conditions studied, a pulsatile flow field exists due to the formation of an expanding and contracting recirculation zone in the outer periphery of the flow tube. By resolving the nature of the flow, the resulting time-averaged temperature and species concentrations show improved agreement with existing experimental measurements. The flow-field interaction results in radial inhomogeneities in the NO 2 profiles with the maximum concentration offset from the flow centerline. The location of the peak in NO 2 is coupled with radial temperature gradients from wall cooling effects and their significant influence on NO/NO 2 interconversion kinetics, producing notable NO 2 accumulation in regions near the wall. Geometrical configurations capable of suppressing/minimizing the pulsatile nature are also investigated and the results are compared. Other experimental configurations could be considered in parametric simulations to determine the optimal configuration that would minimize non-idealities in the observations. The work shows the value in performing such computations in advance of settling on a particular design for flow tube/flow reactor experiments.

42 ENGINEERING↗
DOE OSTI2022

On the effects of reactant stratification and wall curvature in non-premixed rotating detonation combustors

The optimization of non-premixed rotating detonation combustors (RDCs) requires improved understanding of the coupled effects of reactant stratification, fluid property gradients, and complex shock-wave interactions on the detonation wave structure within annular geometries. In the current work, simultaneous orthogonal views of chemiluminescence and hydroxyl planar laser-induced fluorescence (PLIF) are utilized to establish the existence of a dual-wave system characterized by leading and trailing detonation waves that are closely coupled by the local flow physics. These features are persistent over a wide range of mass flow rates and are consistent with prior observations of non-premixed rotating detonations in annular geometries. The detailed instantaneous time sequences are compared with a 3D reactive unsteady Reynolds averaged Navier-Stokes (URANS) simulation to more clearly elucidate the in-situ combustion dynamics and the sensitivity to reactant inlet conditions. It is found that the dual-wave system results from unburned reactants that survive the leading detonation wave in the injector near field and are consumed within a trailing azimuthal reflected-shock combustion (ARSC) zone. By contrast, the injector far field is characterized by rapid mixing due to a sudden drop to subsonic conditions, and the bifurcated detonation wave structure collapses into a stronger, single-wave detonation front with higher overall pressure ratio as compared with the dual-wave system. While each RDC will have different inflow, mixing, and combustion characteristics, the underlying interactions between the stratified reactants and azimuthal wave dynamics identified through the combination of advanced MHz-rate diagnostics and 3D numerical simulations have important implications for the study of detonation wave stability, mode transition, and combustion efficiency in non-premixed annular RDCs.

3D URANS↗
DOE OSTI2022

Sensitivity of puff dynamics and airborne droplet nuclei distribution to variations in violent expiration events

Here, we use large eddy simulations to investigate the puff and droplet dynamics from violent expiratory events such as coughs and sneezes in the first few seconds following an ejection. For each of the eleven simulations considered, over 60,000 droplets are ejected and individually tracked using the point-particle Euler–Lagrange approach. We test the sensitivity of the puff and droplet dynamics to various parameters including the ejection volume, momentum, and orientation. We also explore the effect of the mouth shape on the aforementioned dynamics by considering elliptical and circular inlet cross-sections. The results from the simulations compare favorably with a recent theoretical framework put forth by Balachandar et al. in terms of the puff size and propagation velocity. More importantly however, the theory is able to accurately predict the number and size spectra of the potentially virus-laden droplet nuclei that remain airborne within the puff. We observe that the ejection angle and mouth shape do not significantly affect the puff and droplet dynamics. Additionally, we quantify the carrying capacity of the detached puff portions in terms of the number and size spectra of droplets/droplet nuclei suspended within.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Computational flow modeling of triply periodic minimal surfaces as feed channel spacers in ultra-high pressure reverse osmosis applications

Triply periodic minimal surfaces (TPMS) are a special class of mathematical surfaces characterized by a high surface area-to-volume ratio. They have generated considerable interest in fields such as acoustics, heat transfer, and membrane-based filtration processes. This study evaluates the performance of four different TPMS designs—Schoen Gyroid, Schoen Crossed Layers of Parallels (CLP), Schoen Transverse Crossed Layers of Parallels (tCLP), and Schwarz-Primitive—when used as feed channel spacers under ultra-high pressure reverse osmosis (UHPRO) conditions, at approximately 200 bar. Our experimentally validated computational fluid dynamics model reveal different flow patterns within the feed channels for each of the four TPMS designs, leading to varying hydrodynamic and permeation properties. Under the simulated UHPRO conditions, the Gyroid and tCLP designs yield up to a 23% increase in average permeate velocity and a 14% reduction in average membrane-surface concentration relative to a non-woven spacer of the same porosity. Furthermore, the enhanced performance comes with an increased feed channel pressure drop, although it only constitutes less than 4% of the operating pressure when extrapolated for a meter-long membrane module. Additionally, the study analyzes the effects of varying inlet velocity and spacer porosity on membrane performance. Overall, this research provides valuable insights into the potential use of TPMS spacers in UHPRO applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Off-design performance of molten salt-driven Rankine cycles and its impact on the optimal dispatch of concentrating solar power systems

This paper presents a model for improving off-design performance predictions for molten salt-driven Rankine power cycles, such as in concentrating solar power tower applications. The model predicts cycle off-design performance under various boundary conditions, including molten salt inlet temperature, mass flow rate, and ambient temperature. The model is validated using industry performance data and benchmarked with results from the literature. A complete concentrating solar power plant, inclusive of solar heliostat field and receiver, is then considered, by implementing the Rankine cycle off-design performance results into the National Renewable Energy Laboratory’s System Advisor Model software, which includes a tool that determines optimal power production schedules. The work improves upon the current System Advisor Model by updating off-design performance characteristics. A case study demonstrates the impact of cycle off-design behavior on annual performance for a stand-alone concentrating solar power system and a concentrating solar power-photovoltaic hybrid system. In addition, we demonstrate how cycle off-design performance influences optimal operator dispatch decisions and, thereby, overall system design and economics. We conclude that off-design cycle performance impacts “optimal” sub-system sizing, especially for a concentrating solar power-photovoltaic hybrid configuration in which concentrating solar power must dispatch in conjunction with photovoltaic generation.

14 SOLAR ENERGY↗
DOE OSTI2020

A novel triple power cycle featuring a gas turbine cycle with supercritical carbon dioxide and organic Rankine cycles: Thermoeconomic analysis and optimization

In this study, a novel triple power cycle is proposed where waste heat from a gas turbine cycle is utilized to drive a supercritical carbon dioxide (s-CO 2 ) recompression cycle and a recuperative organic Rankine cycle (ORC) in sequence. A detailed thermoeconomic model is developed and implemented in MATLAB to evaluate the performance of the proposed cycle under different operating conditions. Optimization using a particle swarm optimization (PSO) algorithm is performed to minimize the levelized cost of electricity (LCOE) and determine the optimum design conditions of the cycle. The optimization results show that for a 100 MW cycle, the overall thermal efficiency and LCOE are 0.521 and $\$52.819$/MWh, respectively. The turbine inlet temperature of the gas turbine and s-CO 2 cycles are found as the most influential parameters on the thermoeconomic performance of the triple cycle. The proposed triple cycle shows an excellent waste energy recovery potential and superiority over a very thermodynamically efficient cycle from the literature, which included a gas turbine topping cycle and a complex cascade s-CO 2 power cycle used a bottoming cycle. As a result, the proposed triple cycle shows up to 0.9% points higher efficiency while it has fewer heat exchangers and turbomachinery than the cycle from the literature.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2021

The energy saving potential of thermo-responsive desiccants for air dehumidification

The desiccant wheel is a promising technology for energy-efficient humidity control. However, its overall efficiency—hindered by the desiccant materials’ properties—remains low because traditional desiccants (e.g., silica gels) have a single isotherm regardless of their adsorption temperature. Thermo-responsive materials have been proposed to break this fixed affinity to water vapor, with drastically different adsorption isotherms depending on temperature. Its potential for improving dehumidification efficiency, however, has not been addressed. In this paper, we model the potential of a thermo-responsive interpenetrating polymer network (IPN) desiccant with temperature-dependent adsorption isotherms for energy-efficient dehumidification via a validated transient desiccant wheel model for humidity control of buildings. Thermo-responsive desiccants can improve the dehumidification performance due to their thermo-responsive switchable hydrophilicity below/above the lower critical solution temperature. Our analysis shows that thermo-responsive IPN desiccants can potentially reduce energy consumption by up to 30% compared to silica gels. Finally, the savings depend strongly on the critical temperature of the thermo-responsive desiccant and should be higher when the inlet temperatures are expected to be higher.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Reduced-Order Modeling Method for Phase-Change Thermal Energy Storage Heat Exchangers

Thermal energy storage can facilitate the effective utilization of renewable energy. To speed up the design process of thermal energy storage devices, it is critical to develop fast and accurate modeling methods for phase change material embedded heat exchangers (PCM HXs). This study developed and compared two approximation-assisted reduced-order PCM HX models for the simulation of thermal storage components and systems, which were verified against a validated finite-volume model. They are a pure black-box model, and a grey-box model based on the Number of Transfer Units (or effectiveness-NTU) approach. We used the reduced-order models to predict the performance of standalone PCM HX for 1000 cases with different fluid inlet conditions and HX designs. We also integrated the models with a vapor compression system to predict the compressor energy consumption and total charging time under various conditions. The results show that overall, the black-box model gave more accurate results than the grey-box model. On average, the mean absolute deviation in the PCM HX fluid outlet temperature was 0.05 K and 0.1 K for the black-box model and grey-box model, respectively. The grey-box model gave larger temperature deviation toward the end of the phase change process, due to the simplified two-node PCM representation. On the system level, the mean absolute deviation in compressor energy consumption was 0.2% and 0.3% for the black-box model and grey-box model, respectively. Their mean absolute deviation in total charging time was 1.1% and 2.6%, respectively. In terms of computation efficiency, the system simulation speedup ratio gained by using the reduced-order models was 11 to 57. System simulation time was decreased from an average of 1465 s to an average of 59 s. This shows that the proposed reduced-order modeling methods can be used to predict system performance of PCM HXs with less than 3% accuracy penalty, and 25 times less computational time than finite-volume models, enabling faster design and evaluation of PCM thermal storage devices.

25 ENERGY STORAGE↗
DOE OSTI2026

A multiscale packed-bed reactor model for sustainable ethylene production via chemical looping oxidative coupling of methane

The rising global warming concerns and shale gas discovery have prompted research in the direction of greenhouse gas (GHG), such as methane, reduction and conversion. Oxidative coupling of methane (OCM) offers a pathway to low carbon-intense valorization of methane while producing ethylene, a chemical regarded as central to the petrochemical industry. Even after decades of OCM discovery, researchers keep understanding the process and underlying chemical reactions in a pursuit to achieve industrial viability for OCM. Here, in general, OCM suffers from low C 2 selectivity, yield and reactor temperature runaways due to highly exothermic nature of its reactions. Computational Fluid Dynamics (CFD) tools help analyze spatial gradients within the reactor to deeply understand the diffusion of species, mass and heat transfer phenomena. Furthermore, challenges associated with scaling up such as hot spot formation and parametric sensitivity can be addressed without having to expend on costly experiments. The current paper presents a multiscale packed-bed reactor CFD model coupled with a chemical kinetic model for the chemical looping OCM. The CFD model includes two scales i.e., macroscale for catalyst bed and microscale for individual pellets. Moreover, a chemical kinetic model based on 10 gas-phase reactions is integrated with the CFD model. An additional surface reaction for the formation of gas-phase oxygen from catalyst surface is added to account for the absence of feed oxygen. The model is calibrated against experimental results. The calibrated model captures trends in CH 4 conversion, C 2 selectivity and C 2 yield within a ± 4.35 % range across a temperature range of 700-900 °C. Moreover, model fidelity is evaluated by varying key computational parameters such as mesh resolution and time step size. The model is also verified by varying the inlet methane concentration and the gas hourly space velocity (GHSV) and comparing the results with literature. A sensitivity analysis and scale-up of the current model is undergoing.

Chemical looping↗
DOE OSTI2026

Technoeconomic Analysis of Steel Production with Electric Thermal Energy Storage

The iron and steel industry is an important manufacturing sector and one of the largest energy consumers in the United States and globally. Hydrogen direct reduction of iron ore (H2DRI) is considered a promising process that could enhance domestic steel production. This process requires hydrogen inlet temperatures up to 950 degrees C to drive the endothermic reduction of the iron ore pellets. In this work we investigate the technoeconomic performance of an H2DRI plant using electric thermal energy storage (ETES) technologies for the hydrogen heating, compared to conventional natural gas fired heaters, hydrogen fired heaters, and electric hydrogen heaters. A technoeconomic analysis framework for the plant is developed and used in multiple case studies, covering different hydrogen prices, grid electricity profiles, and financing scenarios. The levelized cost of steel production is found out to be in the range of $775-950/mt, which is mostly inside the benchmarked steel price of $941/mt. ETES-based hydrogen heating is found to be in par with conventional natural gas fired heaters, and cheaper than hydrogen fired heaters and electric hydrogen heaters. The major cost drivers are the iron ore and hydrogen feedstock, followed by the hydrogen compression and heating capital. Several insights and suggested future directions are identified.

08 HYDROGEN↗
DOE OSTI2020

Chemical changes in thirdhand smoke associated with remediation using an ozone generator

Ozonation is a common remediation approach to eliminate odors from mold, tobacco and fire damage in buildings. Little information exists to: 1) assess its effectiveness; 2) provide guidance on operation conditions; and 3) identify potential risks associated with the presence of indoor ozone and ozonation byproducts. The goal of this study is to evaluate chemical changes in thirdhand smoke (THS) aerosols induced by high levels of ozone, in comparison with THS aerosols aged under similar conditions in the absence of ozone. Samples representing different stages of smoke aging in the absence of ozone, including freshly emitted secondhand smoke (SHS) and THS, were collected inside an 18-m 3 room-sized chamber over a period of 42 h after six cigarettes were consumed. The experiments involved collection and analysis of gas phase species including volatile organic compounds (VOCs), volatile carbonyls, semivolatile organic compounds (SVOCs), and particulate matter. VOC analysis was carried out by gas chromatography/mass spectrometry with a thermal desorption inlet (TD-GC/MS), and volatile carbonyls were analyzed by on-line derivatization with dinitrophenylhydrazine (DNPH), followed by liquid chromatography with UV/VIS detection. SVOCs were extracted from XAD-coated denuders and Teflon-coated fiberglass filters in the absence of ozone. In those extracts, tobacco-specific nitrosamines (TSNAs) and other SVOCs were analyzed by gas chromatography with positive chemical ionization-triple quadrupole mass spectrometric detection (GC/PCI-QQQ-MS), and polycyclic aromatic hydrocarbons (PAHs) were quantified by gas chromatography with ion trap mass spectrometric detection (GC/IT-MS) in selected ion monitoring mode. Particulate matter concentration was determined gravimetrically. In a second experiment, a 300 mg h -1 commercial ozone generator was operated during 1 h, one day after smoke was generated, to evaluate the remediation of THS by ozonation. VOCs and volatile carbonyls were analyzed before and after ozonation. Extracts from fabrics that were exposed in the chamber before and after ozonation as surrogates for indoor furnishings were analyzed by GC/IT-MS, and aerosol size distribution was studied with a scanning mobility particle sizer. Ozone concentration was measured with a photometric detector. An estimated 175 mg ozone reacted with THS after 1 h of treatment, corresponding to 58% of the total O 3 released during that period. Fabric-bound nicotine was depleted after ozonation, and the surface concentration of PAHs adsorbed to fabric specimens decreased by an order of magnitude due to reaction with ozone, reaching pre-smoking levels. These results suggest that ozonation has the potential to remove harmful THS chemicals from indoor surfaces. However, gas phase concentrations of volatile carbonyls, including formaldehyde, acetaldehyde and acetone were higher immediately after ozonation. Ultrafine particles (UFP, in most cases with size <60 nm) were a major ozonation byproduct. UFP number concentrations peaked shortly after ozonation ended, and remained at higher-than background levels for several hours. Based on these results, minimum re-entry times after ozone treatment were predicted for different indoor scenarios. Clearly defining re-entry times can serve as a practical measure to prevent acute exposures to ozone and harmful ozonation byproducts after treatment. This study evaluated potential benefits and risks associated with THS remediation using ozone, providing insights into this technology.

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

QUIC-URB and QUIC-fire extension to complex terrain: Development of a terrain-following coordinate system

Ensemble-based approaches to prescribed fire planning cannot be supported by CFD-based models like FIRETEC and WFDS because they are too computationally expensive and cannot leverage LES approaches like CAWFE and WRF-SFIRE because too coarse of resolution. QUIC-Fire was developed to fill this gap but it cannot currently address complex terrain, typical for instance of the Western United States. In this paper, we describe the extension of the diagnostic wind model QUIC-URB, the wind engine of QUIC-Fire, to a terrain-following coordinate system. In particular, the paper presents the mathematical derivation of the wind solver leading to a linear system of equations that are solved through the successive over-relaxation method. The model is validated against a standard test used in previous works (the Askervein Hill) and against a new dataset from measurements in the Socorro Mountains, New Mexico. The terrain-following implementation captured the correct phenomenology for the isolated Askervein Hill, with a wind speed up at the top of the hill. We report the model agreed well with measurements on the upwind side of the peak, but overestimated speed-up on the downwind side of the hill. This is due to the inability of the model to generate flow separation and wake-eddy dynamics. On a common laptop, the divergence-free wind field was obtained in 6 s, making the solver appealing for coupled fire–atmosphere simulations. The Socorro Mountain was highly complex, with many cliff faces, peaks, and valleys. Although the model captures the magnitude and direction of inlet and outlet areas of the domain, it performs rather poorly in the valley region and in the regions near the steep cliffs. Hence, the model shows good agreement with data in areas of open sloped terrain but lacks in areas where flow separation and thermally driven effects may be present (neither effect was addressed in this work). Results highlight that future work should focus on the implementation of parameterizations of wake-eddies, similar to QUIC-URB’s building parameterizations, and on thermodynamic-driven flow.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Stereoscopic high-speed microscopy to understand transient internal flow processes in high-pressure nozzles

The flow and cavitation behavior inside fuel injectors is known to affect spray development, mixing and combustion characteristics. We discuss that while diesel fuel injectors with converging and hydro-eroded holes are generally known to limit cavitation and feature higher discharge coefficients during the steady period of injection, less is known about the flow during transient periods corresponding to needle opening and closing. Multiple injection strategies involve short injections, multiplying these aspects and giving them a growing importance as part of the fuel delivery process. In this study, single-hole transparent nozzles were manufactured with the same hole inlet radius and diameter as the Engine Combustion Network Spray D nozzle, mounted to a modified version of a common-rail Spray A injector body and needle. Needle opening and closing periods were visualized with stereoscopic high-speed microscopy at injection pressures relevant to modern diesel engines. Time-resolved sac pressure was extracted via elastic deformation analysis of the transparent nozzles. Sources of cavitation were observed and tracked, enabling the identification of a gas exchange process after the end of injection with ingestion of chamber gas into the sac and orifice. We observed that the gas exchange contributed widely to disrupting the start of injection and outlet flow during the subsequent injection event.

42 ENGINEERING↗
DOE OSTI2023

Experimental investigation of power transient flow boiling

To advance the mechanistic understanding of power transients in flow boiling, experimental investigations are performed to capture the thermal response of four different kinds of cladding materials, including FeCrAls, to Fuchs reactivity initiated accident transients and linear ramp power transients. The transition boiling regime is phenomenologically reflected in power-transient flow boiling, which is different from steady-state boiling. In light of this, the critical heat flux that is usually featured with temperature overshooting does not indicate thermal safety margin of cladding materials as conservatively as the maximum heat flux, which is greater than critical heat flux in the power transient boiling curve. This is physically attributed to the thermal energy deposition on the cladding wall. In addition, the thermal energy released from the cladding wall results in different boiling heat transfer coefficient for the decreasing and increasing power stages respectively during the Fuchs power transient. The maximum heat flux difference gap, which appears due to changes in cladding materials and transient time scales, is appreciable under an intermediate heat convection regime. However, this difference gap is gradually weakened by the progressive increasing of mass flux and/or inlet subcooling due to the enhanced dominance of heat convection over heat conduction. Finally, the small difference gap of maximum heat flux is found to be insignificant under the weak heat convection because of power transient induced annular flow instability.

42 ENGINEERING↗
DOE OSTI2024

Experimental investigation of Multi-Mode heat transfer to a Free-Falling dilute particle cloud in a heated vertical tube

The development of dilute particle heat exchangers and reactors for advanced energy systems requires an understanding of the multi-mode heat transfer from a heated wall to falling particles. This study presents experimental results of the overall heat transfer coefficient for a free-falling, dilute flow of particles with solid volume fraction from 0.0005 to 0.006 corresponding to feed rates from 3.7 kg s -1 m -2 to 44 kg s -1 m -2 in a vertical, heated tube containing quiescent air at atmospheric pressure. Tube wall temperatures are varied between 300°C to 900°C while keeping the particle inlet temperature constant. The experimental results show that the overall heat transfer coefficient is a strong function of particle feed rate and surface temperature. Good agreement was obtained with prior studies conducted at comparable temperatures but lower particle feed rates (< 4 kg m -2 s -1 ). The established correlations for particle-to-wall radiation and particle-to-gas convection were used to estimate the wall-to-gas convective contribution from the measured overall heat transfer coefficient. The experimental results indicated a 4 to 6 times improvement in the wall convection in the solid-gas mixture compared to that expected from natural convection in a single-phase gas. Furthermore, the data presented here are applicable to characterize heat transfer in dilute particle heat exchangers, furnaces, and solar receivers.

14 SOLAR ENERGY↗
DOE OSTI2024

Experimental evaluation of thermal-fluids performance of Helium-Cooled Flat Plate (HCFP) divertor

Various helium (He)-cooled solid-tungsten (W) divertor concepts have been proposed for long-pulse magnetic fusion energy reactors. Among these concepts, the He-cooled flat plate divertor (HCFP) modules have the largest plasma-facing surface area of ~0.2 m 2 . Simulations have shown that the most recent version of the design can withstand heat fluxes as great as 8 MW/m 2 . Earlier experimental studies of a single shortened HCFP cooling unit with a slot length of 7.6 cm used air at ambient temperature and pressures below 0.6 MPa. Here, we present initial experimental studies of a copper alloy and steel test section modeling a shortened HCFP cooling unit using He at prototypical pressure of 10 MPa, inlet temperatures T i ≤ 200 °C and steady-state incident heat fluxes q" ≤ 1.2 MW/m 2 . Results for Nusselt number Nu as a function of Reynolds number Re were obtained for Re = 1.2×10 4 –3.4×10 4 , and used to develop a Nu(Re) correlation and validate numerical models of the test section using commercial computational fluid dynamics (CFD) software. Simulations with this model are performed to evaluate the effect of the shortened slot. Furthermore, these analyses are used to estimate the thermal-fluids performance of the HCFP under prototypical conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Grain detachment and transport clogging during mineral dissolution in carbonate rocks with permeable grain boundaries

In this paper, we explore the effect of permeable grain boundaries on carbonate rock dissolution in order to improve our understanding of grain detachment and migration during reactive flow. To do so we investigated the effects of grain size and enhanced reactivity along grain boundaries on global dissolution kinetics. Variations of permeability and porosity were calculated, and exponential relationships were observed in fractured rocks. Our model employed a reactive transport framework based on the Darcy-Brinkman equation to simulate calcite dissolution in carbonate rocks composed of microporous grains and, included fluid transport along grain boundaries. The model includes fluid flow, solute transport by advection–diffusion, heterogeneous reaction between fluid and minerals and grain detachment with subsequent grain transport in macropores. The migration of solid particles due to dissolution was based on cluster analysis and local movement, and the results show that grain detachment can lead to significant decreases in permeability due to the clogging of transport pathways. Microporous media with smaller grain sizes (fine grains in this study) showed a higher average reaction rate than those with coarser grains. In addition, as the overall rates of geochemical processes are commonly affected by the presence of texture heterogeneities such as fractures, a single fracture (macropore) introduced into a microporous matrix composed of permeable grains and grain boundaries was modelled as a large channel connecting the inlet and outlet of the simulation domain. It was found that macropore clogging by grain detachment temporary decreased permeability, lowering the long-term global reaction rates. Lastly, we observed that increases in flow rate can reduce detachment and fracture clogging by reducing local dissolution along grain boundaries.

58 GEOSCIENCES↗
DOE OSTI2020

Origin and composition of three heterolithic boulder- and cobble-bearing deposits overlying the Murray and Stimson formations, Gale Crater, Mars

Heterolithic, boulder-containing, pebble-strewn surfaces occur along the lower slopes of Aeolis Mons (“Mt. Sharp”) in Gale crater, Mars. They were observed in HiRISE images acquired from orbit prior to the landing of the Curiosity rover. The rover was used to investigate three of these units named Blackfoot, Brandberg, and Bimbe between sols 1099 and 1410. These unconsolidated units overlie the lower Murray formation that forms the base of Mt. Sharp, and consist of pebbles, cobbles and boulders. Blackfoot also overlies portions of the Stimson formation, which consists of eolian sandstone that is understood to significantly postdate the dominantly lacustrine deposition of the Murray formation. Blackfoot is elliptical in shape (62 x 26 m), while Brandberg is nearly circular (50 x 55 m), and Bimbe is irregular in shape, covering about ten times the area of the other two. The largest boulders are 1.5–2.5 m in size and are interpreted to be sandstones. As seen from orbit, some boulders are light-toned and others are dark-toned. Rover-based observations show that both have the same gray appearance from the ground and their apparently different albedos in orbital observations result from relatively flat skyfacing surfaces. Chemical observations show that two clasts of fine sandstone at Bimbe have similar compositions and morphologies to nine ChemCam targets observed early in the mission, near Yellowknife Bay, including the Bathurst Inlet outcrop, and to at least one target (Pyramid Hills, Sol 692) and possibly a cap rock unit just north of Hidden Valley, locations that are several kilometers apart in distance and tens of meters in elevation. These findings may suggest the earlier existence of draping strata, like the Stimson formation, that would have overlain the current surface from Bimbe to Yellowknife Bay. Compositionally these extinct strata could be related to the Siccar Point group to which the Stimson formation belongs.

58 GEOSCIENCES↗