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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The Modeling of the Synfuel Production Process: Process models of Fischer-Tropsch production with electricity and hydrogen provided by various scales of nuclear plants

Synthetic fuels (synfuels), also known as electro-fuels (E-fuels), are hydrocarbon fuels produced from waste CO2 streams and water electrolysis, with electricity as the primary source of energy. To achieve substantial reductions in greenhouse gas (GHG) emissions, electricity sources must release zero carbon or near-zero carbon, as is the case with solar, wind, hydro, and nuclear power. Nuclear power is one of the largest and steadiest domestic sources of clean energy in the United States. Moreover, nuclear power has the potential to produce hydrogen economically for less than $2/kg, reaching the DOE near-term target price. Thus, using nuclear power to produce synfuels has the unique potential to significantly reduce the GHG emissions of hydrocarbon fuels production and end-use applications. Fisher-Tropsch or FT fuel (a mixture of naphtha, jet fuel, and diesel) is of great interest because it is a drop-in fuel that can be blended with conventional petroleum counterparts and is compatible with existing infrastructure. By using the ASPEN Plus model, this report develops FT fuel production models on three scales, corresponding to nuclear plants with capacities of 1000 MWe, 437 Mwe, and 100 MWe, respectively. The FT model case with energy from a 437-MWe nuclear plant is used as a baseline case. This report summarizes the baseline ASPEN Plus model results with a detailed mass and energy analysis. Our modeled facility produces 507 MT/day (185,000 gal/day) of FT fuel by converting 255 MT/day of hydrogen and 1,580 MT/day of CO2. The FT fuel production energy efficiency from hydrogen and electricity energy inputs is 70% (lowerheating-value or LHV-based). Including the high-temperature electrolyzer in the system boundary, the FT fuel production LHV efficiency from electricity and thermal energy inputs is 51%, considering 39.8 kWh/kg of electricity and 6.86 kWh/kg of thermal energy use from a nuclear plant for hydrogen production. The FT production efficiency can potentially be increased by further integrating the heat exchange between nuclear plant and FT process, and this study is underway. The carbon conversion ratio in the baseline case is 99%, with process CO2 capture and recirculation and oxy-combustion using the oxygen by-product from water electrolysis. The hydrogen consumption is 1.38 kg/gal-FT fuel and the CO2 consumption is 8.56 kg/gal-FT fuel in the baseline case. With different FT production scales determined by the nuclear plant capacity, the FT model was scaled using the same operating parameters, which led to the same conversion efficiency regardless of scale. However, the different FT plant scales will impact the economics of FT fuel production; this impact will be examined in the next phase of this study.

Zang, Guiyan↗
NASA NTRS2000

Thermally Mobile Trace Elements in Carbonaceous Chondrites From Cold and Hot Deserts

Some decades ago, Anders and co-workers used RNAA to classify a number of trace elements as being volatile during nebular condensation and accretion into primitive objects based upon their strong depletion in (equilibrated) ordinary chondrites relative to C1 chondrites. Such elements, e.g. Ag, Bi, Cd, Cs, In, Se, Te, Tl, Zn and others, exhibit nearly constant, C1-normalized atomic abundances in C2 (CM2) and in C3 chondrites. They interpreted the near-constancy of these abundances according to a 2-component model in which volatiles were introduced into carbonaceous (and other) chondrites as C1 material which was diluted with differing proportions of high-temperature (i.e. volatile-free) components. In this view, mean volatile element abundances of 0.48 in C2 and 0.24-0.29 x C1 in C3 chondrites indicated that C2 and C3 chondrites are, respectively, about 1:1 and 1:2-3 mixtures of C1-like and high temperature materials. More recently, Xiao and Lipschutz found that C-normalized abundances of such volatile elements are nearly constant in most C2-6 chondrites (i.e. 25 non-Antarctic meteorites, nearly all falls, and 36 Antarctic finds) consistent with a 2-component mixing model. However, rather than being quantized, mean volatile element contents in each chondrite define a continuum from 0.92-0.14 x C1 for these 61 chondrites. A few carbonaceous chondrites, the first having been the NIPR consortium samples B-7904, Y-82162 and Y-86720, show an altered pattern: many of the volatile elements in each exhibit the usual constancy of C1-normalized atomic abundances, but modified by further depletion of Cd and other elements like Tl and Bi. These are the most mobile trace elements, i.e. those most readily vaporized and lost from primitive meteorites during week-long heating at greater than or equal to 400 C under low ambient pressures (initially 10(exp -5) atm H2), simulating metamorphic conditions in a primitive parent body. Similarities between mobile element data for B-7904, Y-82162 and Y-86720 with those for Murchison heated at 500-700 C, suggest that these Antarctic C1 - and C2-like chondrites were metamorphosed at temperatures like these in the interiors of their parent bodies. Metamorphic temperatures inferred from RNAA data and textural/mineralogic alterations are internally consistent, agreeing., with those evident in heated Murchison samples. These 3 chondrites were also heated late in their histories since all have lost cosmogenic He-3, presumably during close solar approach, and B-7904 and Y-86720 seem also to have lost substantial proportions of radiogenic He-4 and Ar-40 cf. data in. Similarities in spectral reflectance data for C-, G-, B- and F- asteroids, for these meteorites and for heated Murchison samples suggest that thermally metamorphosed interior materials in these asteroids were excavated by impacts and re-deposited on them, forming their present surfaces. Establishment of the thermal metamorphic histories of carbonaceous chondrites, then, is essential to establishing the evolution and present-day nature of C-type and related asteroids.

Lipschutz, M. E.↗
DOE OSTI2023

Evaluation of Spray and Combustion Models for Simulating Dilute Combustion in a Direct-Injection Spark-Ignition Engine

Dilute combustion in spark-ignition engines has the potential to improve thermal efficiency by mitigating knock and by reducing throttling and wall heat losses. However, ignition and combustion processes can become unstable for dilute operation due to a lowered laminar flame speed, resulting in excessive cycle-to-cycle variability (CCV) of the combustion process. To compensate for the slower combustion in less reactive mixtures, a modified intake port geometry can be employed to generate a strong tumble flow in the cylinder and elevate turbulence levels around the spark plug, thereby promoting a faster transition to turbulent deflagration. Consequently, optimizing combustion chamber geometry and operating strategy is crucial to maximizing the benefits of using dilute combustion with enhanced in-cylinder turbulence across a wide range of operating conditions. Computational fluid dynamics (CFD) simulations can be utilized for virtual engine optimization tasks, but this would require the models to be truly predictive regarding the impact of changes to the engine design and operational parameters.In this study, multicycle large-eddy simulations (LES) are performed for a direct-injection spark-ignition engine to investigate the model performance in predicting engine combustion characteristics with respect to changes in the intake configuration. A tumble plate that blocks the lower part of the intake port inlet is used to vary the tumble. A set of CFD models that have been recently developed are employed, which takes into account the drag of nonspherical droplets, flash-boiling behavior of liquid sprays, spray-wall interaction, surrogate formulation of a research-grade E10 gasoline, and fast chemical kinetic solvers. Simulation results are compared to experimental engine data in terms of cylinder pressure, apparent heat release rate, mass fraction burned timing, and flame images. It is found that LES employing the state-of-the-art CFD models are capable of properly predicting the spray processes and reproducing the measured mean cylinder pressure for the case with the tumble plate. On the other hand, the LES over-predicts the combustion rate during the early combustion stage and under-estimates the CCV, and these discrepancies become larger when the tumble plate is removed.

computational fluid dynamics simulation↗
NASA NTRS1994

On the Influence of a Fuel Side Heat-Loss (Soot) Layer on a Planar Diffusion Flame

A model of the response of a diffusion flame (DF) to an adjacent heat loss or 'soot' layer on the fuel side is investigated. The thermal influence of the 'soot' or heat-loss layer on the DF occurs through the enthalpy sink it creates. A sink distribution in mixture-fraction space is employed to examine possible DF extinction. It is found that (1) the enthalpy sink (or soot layer) must touch the DF for radiation-induced quenching to occur; and (2) for fuel-rich conditions extinction is possible only for a progressively narrower range of values ot the characteristic heat-loss parameter, N(sub R)(Delta Z(sub R)) Various interpretations ot the model are discussed. An attempt is made to place this work into the context created by previous experimental and computational studies.

Wichman, Indrek S.↗
NASA NTRS1999

Measurements of Nitric Acid and Aerosol Species Aboard the NASA DC-8 Aircraft During the SASS Ozone and Nitrogen Oxide Experiment (SONEX)

The SASS Ozone and Nitrogen Oxides Experiment (SONEX) over the North Atlantic during October/November 1997 offered an excellent opportunity to examine the budget of total reactive nitrogen (NO(sub y)) in the upper troposphere (8 - 12 km altitude). The median measured NO(sub y) mixing ratio was 425 parts per trillion by volume (pptv). Two different methods were used to measure HNO3: (1) the mist chamber technique and, (2) chemical ionization mass spectrometry. Two merged data sets using these HNO3 measurements were used to calculate NO(sub y) by summing the reactive nitrogen species (a combination of measured plus modeled results) and comparing the resultant values to measured NO(sub y) (gold catalytic reduction method). Both comparisons showed good agreement in the two quantities (slope > 0.9 and r(exp 2) > 0.9). Thus, the total reactive nitrogen budget in the upper troposphere over the North Atlantic can be explained in a general manner as a simple mixture of NO(sub x). (NO + NO2), HNO3, and PAN. Median values of NO(sub x)/NO(sub y) were approximately equal to 0.25, HNO3/NO(sub y) were approximately equal to 0.35 and Peroxyacetyl Nitrate (PAN)/NO(sub y) were approximately equal to 0. 17. Particulate NO3 and alkyl nitrates together composed <10 % of NO(sub y), while model estimated HNO4 averaged 12%.

Talbot, Robert W.↗
DOE OSTI2023

The Dynamics of Megafire Smoke Plumes in Climate Models: Why a Converged Solution Matters for Physical Interpretations

As the climate system warms, megafires have become more frequent with devastating effects. A byproduct of these events is the creation of smoke plumes that can rise into the stratosphere and spread across the globe where they reside for many months. To gain a deeper understanding of the plume dynamics, global climate simulations of a megafire were performed at a wide range of grid spacings from 2.0° down to 7 km, including a 7 km nonhydrostatic experiment. The analysis focuses on how the resolved dynamics affects the specification of the plume characteristics such as injection height and black carbon (BC) mass. Prior studies initialize the smoke plume at one or a few grid points and this is shown here to produce severely dissipative dynamics. In order to validate such simulations with observations, enhancements of the plume characteristics to offset the dissipation is necessary. Using a numerically converged simulation, sensitivity tests show that to approximate the observed stratospheric lifetime, a reduction in BC fraction by 50% is necessary for external mixtures. The vorticity dynamics of the plume is also analyzed with a Lagrangian budget to understand the mechanisms responsible for the evolution of a collocated anticyclonic vortex. The results can be distilled down into a simple conceptual model. As the plume rises, the air diverges at the top of the updraft where the largest concentrations of smoke are found. This divergence induces a dilution of the background cyclonic absolute vorticity producing an anticyclonic vortex. Vortex decay occurs from opposite arguments.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Application of Advanced Earth Observations and Model Simulations to Improve Air Quality Monitoring in the Hindu-Kush-Himalayan Region

Air pollution is a serious environmental health concern in the Hindu Kush Himalayan (HKH) region of south-central Asia, as rapid industrialization and population growth have led to increased anthropogenic emissions from transportation, residential, industrial, energy, and biomass burning sources. Natural emissions from dust and forest fires are additional sources of air pollutants that can exacerbate air quality in the region. The combination of the complex pollutant mixtures and atmospherically stable weather conditions during the winter monsoon can visibility reductions and hazardous air quality from persistent haze episodes. The Kathmandu Valley is especially vulnerable to extreme haze issues due to the surrounding mountains that restrict air movement and retains pollutants in the atmosphere. This study uses state-of-the-art satellite observations and modeling capabilities in conjunction with ground-based networks to provide a comprehensive data toolkit for advancing air quality monitoring and forecasting decisions in the HKH region. The toolkit includes new generation satellite observations from the TROPOspheric Monitoring Instrument (TROPOMI), Geostationary Environment Monitoring Spectrometer (GEMS), and Advanced Meteorological Imager, which provide high spatiotemporal information on NO2, HCHO, SO2, O3, and aerosol optical depth (AOD). Particulate matter with diameters less than 2.5 micrometers (PM2.5) are derived from the satellite-retrieved AOD using ground-based observations and forecast model data. The satellite observations are also used to initialize and constrain forecast model systems designed for the HKH region. This talk will highlight the performance of the air quality toolkit for enhancing decision-making processes during exceptional air quality events in the region. Note: Presentation includes additional attachment of full presentation with sound and animation (best when viewed as slide show) with runtime of 15 min 32 secs

Aaron Naeger↗
NASA NTRS1991

Tests of stratospheric models - The reactions of atomic chlorine with O3 and CH4 at low temperature

The rate-constant ratio of the photochemical reactions of atomic chlorine with O3 and CH4 was determined using data from laboratory experiments on competitive chlorination of O3/CH4 mixtures at stratospheric temperatures (197-217 K). Two experimental approaches were used: (1) measuring the k1/k2 ratio for the reactions of atomic chlorine with ozone and methane and (2) testing for some of the ClO/CH3O2 chemistry. The chlorine and ozone concentrations were monitored by UV-Vis spectroscopy, and the CH3Cl concentration was measured by FTIR. The results on the k1/k2 ratio are in excellent agreement with the current NASA recommendation (DeMore et al., 1990), being only 12 percent higher. On the other hand, results on the ClO + CH3O2 reaction do not support the rate constant suggested by Simon et al. (1989).

Demore, W. B.↗
DOE OSTI2022

In Situ Determination of Speciation and Local Structure of NaCl–SrCl 2 and LiF–ZrF 4 Molten Salts

Understanding the local environment of the metal atoms in salt melts is important for modeling the properties of melts and predicting their behavior and thus helping enable the development of technologies such as molten salt reactors and solar-thermal power systems and new approaches to recycling rare-earth metals. Toward that end, we have developed an in situ approach for measuring the coordination of metals in molten salt coupling X-ray absorption spectroscopy (XAS) and Raman spectroscopy. Our approach was demonstrated for two salt mixtures (1.9 and 5 mol % SrCl 2 in NaCl, 0.8 and 5 mol % ZrF 4 in LiF) at up to 1100 °C. Near-edge (X-ray absorption near-edge structure, XANES) and extended X-ray absorption fine structure (EXAFS) spectra were measured. The EXAFS response was modeled using ab initio FEFF calculations. Strontium’s first shell is observed to be coordinated with chlorine (Sr 2+ –Cl – ) and zirconium’s first shell is coordinated by fluorine (Zr 4+ –F – ), both having coordination numbers that decrease with increasing temperature. Multiple zirconium complexes are believed to be present in the melt, which may interfere and distort the EXAFS spectra and result in an anomalously low zirconium first shell coordination number. Finally, the use of boron nitride (BN) powder as a salt diluent for XAFS measurements was found to not interfere with measurements and thus can be used for investigations of such systems.

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

NUMERICAL INVESTIGATION OF AIR DEHUMIDIFICATION THROUGH WATER DROPLETS DIELECTROPHORESIS

This paper numerically investigated the dehumidification of moist airflow in a converging rectangular duct with electrically enhanced condensation. The aim was to develop a condensation model that predicted water vapor condensation by employing the dielectrophoresis principle. The charged droplets were injected into the computational domain to produce a gradient electric field. The dielectrophoretic interaction between the droplets and vapor molecules of the humid air resulted in local water vapor condensation at the vapor and liquid droplet interface. This phenomenon is described in detail in this paper. A hybrid Eulerian-Lagrangian solver SprayFoam was developed based on OpenFOAM® to simulate condensation in two-phase gas-liquid mixtures. The following developments were made based on the standard compressible multiphase flow solver SprayFoam in OpenFOAM®: (1) Eulerian solver for gas phase (2) multi-component species transport, and (3) Lagrangian solver for gas-droplet two-phase flows and sub-models for liquid droplets. The newly developed numerical model was experimentally validated with data from a series of tests conducted in the authors' laboratory. The results showed that the simulations followed the same trends as the data, and the model predicted the condensation due to the electro-spray injection process in the air stream. The injected water droplets, which are electrically charged to their Rayleigh limits, increased in size while wiping out the humidity from the air. The simulations indicated that the dehumidification was about 1% for 0.5 cubic feet per minute airflow rate. Scaling up to larger flows is a future follow-up work.

Yel Mahi, *Maliha↗
NASA NTRS2008

LOX/Methane Main Engine Igniter Tests and Modeling

The LOX/methane propellant combination is being considered for the Lunar Surface Access Module ascent main engine propulsion system. The proposed switch from the hypergolic propellants used in the Apollo lunar ascent engine to LOX/methane propellants requires the development of igniters capable of highly reliable performance in a lunar surface environment. An ignition test program was conducted that used an in-house designed LOX/methane spark torch igniter. The testing occurred in Cell 21 of the Research Combustion Laboratory to utilize its altitude capability to simulate a space vacuum environment. Approximately 750 ignition test were performed to evaluate the effects of methane purity, igniter body temperature, spark energy level and frequency, mixture ratio, flowrate, and igniter geometry on the ability to obtain successful ignitions. Ignitions were obtained down to an igniter body temperature of approximately 260 R with a 10 torr back-pressure. The data obtained is also being used to anchor a CFD based igniter model.

Breisacher, Kevin J.↗
DOE OSTI2020

High pressure/high temperature multiphase simulations of dodecane injection to nitrogen: Application on ECN Spray-A

The present work investigates the complex phenomena associated with pressure/high temperature dodecane injection for the Engine Combustion Network (ECN) Spray-A case, employing more elaborate thermodynamic closures, to avoid well known deficiencies concerning density and speed of sound prediction using traditional cubic models. A tabulated thermodynamic approach is proposed here, based on log 10 (p)-T tables, providing very high accuracy across a large range of pressures, spanning from 0 to 2500 bar, with only a small number of interpolation points. The tabulation approach is directly extensible to any thermodynamic model, existing or to be developed in the future. Here NIST REFPROP properties are used, combined with PC-SAFT Vapor-Liquid-Equilibrium to identify the liquid in mixtures penetration, hence avoiding the use of an arbitrary threshold for mass fraction. Identified liquid and vapour penetration are compared against experimental data from the ECN database showing a good agreement, within approximately 3–8% for axial penetration of liquid, 2% for vapor axial penetration and within experimental uncertainty for radial distribution of mass fraction. Analysis of the vortex evolution indicates that driving mechanisms behind the jet break-up are vortex tilting/stretching, then baroclinic torque, leading to Rayleigh-Taylor instabilities, closely followed by vortex dilation and finally viscous effects.

42 ENGINEERING↗
DOE OSTI2022

Salt and ion transport in a series of crosslinked AMPS/PEGDA hydrogel membranes

Salt permeability and ionic conductivity are critical properties for membranes in water purification and energy applications. Both properties depend on individual ion sorption and diffusion coefficients, which are significantly influenced by polymer chemical and physical parameters such as fixed charge concentration and membrane water content. However, systematic studies connecting polymer structure to ion transport properties are still lacking. In this study, a series of uncharged and charged membranes were synthesized using poly(ethylene glycol) diacrylate (PEGDA) as a cross-linker and 2-acrylamido-2-methyl-1-propanesulfonic acid (AMPS) as a charged monomer. Membrane fixed charge concentration and water uptake were systematically varied by adjusting AMPS content in the pre-polymerization mixture. Salt sorption and permeability coefficients and ionic conductivity of these membranes were measured as a function of NaCl solution concentration (0.01–1 M). Combining the solution-diffusion model and Nernst-Planck equation, individual ion diffusion coefficients were calculated. Experimental Na + diffusion coefficients for all materials were well described by the Mackie and Meares tortuosity model, highlighting the strong influence of water content on ion diffusivity in both uncharged and charged polymers. Model predictions for Cl – diffusion coefficients agree reasonably well with experimental values, with some deviations occurring in more highly charged membranes. Finally, this discrepancy might result from interactions not captured by the Mackie and Meares model (e.g., fixed charge-ion interactions).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ceria Incorporation in Sinter-Resistant Platinum-Based Catalysts

Platinum group metals (PGM) are widely used for exhaust emission abatement. Sintering during the high-temperature emission control conditions decreases noble metal utilization efficiency. Efficient use of scarce noble metals requires sinter-resistant catalysts. Here we extend an approach to synthesize catalysts consisting of platinum nanoparticles encapsulated in a mixture of cerium and aluminum oxides (Pt@Al 2 O 3 -CeO 2 ). We tested the activity of this catalyst toward carbon monoxide, propene, and propane oxidation chosen as model oxidation reactions for emission control catalysts. Pt@Al 2 O 3 -CeO 2 catalysts demonstrated similar activity and stability upon aging as the comparison system without ceria, Pt@Al 2 O 3 , while maintaining small Pt nanoparticles and ceria crystallites. Additionally, we studied the influence of various thermal treatments on CO oxidation activity and determined that a steam treatment can activate low temperature CO oxidation activity of Pt@Al 2 O 3 -CeO 2 . STEM-EDS analysis revealed that thermal treatments led to the co-location of Pt and CeO 2 and temperature programmed-reduction analysis revealed that the steam treatment specifically enhanced CO oxidation activity through surface reduction of the CeO 2 . As a result, we demonstrate the versatility of this encapsulation approach to generate mixed metal-oxide supports with improved metal-support interactions without hindering nanoparticle stability.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Dose reconstruction for plutonium-239 intakes at the Rocky Flats Plant

Purpose: The Rocky Flats (RF) Plant was a weapons manufacturing facility that operated from the early 1950s to 1989. Its primary missions were the production of plutonium (Pu) pits for thermonuclear weapons and the processing of retired weapons for Pu recovery. The purpose of this study was to estimate radiation doses to a cohort of 4499 RF workers from an intake of 239 Pu, the primary plutonium isotope handled at the site. Materials and methods: The latest biokinetic models of the International Commission on Radiological Protection, or site-specific variations of those models, were used to estimate 239 Pu intakes for each worker based on model fits to bioassay data often coupled with lung measurements. Results: Urinary excretion and lung retention data for most 239 Pu intakes could be fit reasonably well by a mixture of Pu dioxide and moderately soluble material. For some workers, better fits were obtained by application of other absorption types including Type S, 239 Pu nitrate, or pure 239 Pu dioxide, or by assuming intake via a wound. The lungs typically received the highest tissue doses, with fifty-year committed equivalent doses in the range of 0.5–1 Sv for 275 workers, 1–5 Sv for 115 workers, and greater than 5 Sv for 12 workers. Conclusions: RF was a unique site regarding a large number of lung measurements available for determining the appropriate absorption types for inhaled material. Further, this provided higher confidence in reconstructed 239 Pu doses than is generally gained from urinary data alone.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2021

Characterization of an electrically conductive proppant for fracture diagnostics

Fracture diagnosis with electromagnetic (EM) and electrical tools requires proppants with high electrical conductivity and mechanical strength. Lab measurements of the electrical and hydraulic conductivity of proppants are critical for selecting the best candidates. Such measurements greatly benefit simulations, field tests, and the ultimate application of such proppants in the field. To that end, a new lab protocol is developed for measuring the electrical and hydraulic conductivity of proppants. The lab setup, which mainly includes a resistivity core holder and a Hassler sleeve core holder, allows for simulation of realistic pressure and temperature conditions when making measurements. Petroleum coke (PC) is proposed as a candidate proppant because of its widespread availability and low cost. Lab measurements show that the effective electrical conductivity of pure PC in a model fracture is approximately 5000 S/m, under a closure stress greater than [Formula: see text] (4000 psi). When PC is mixed with sand, the effective electrical conductivity of the mixture decreases with an increasing weight percentage of sand. Although sand degrades the contact between PC particles, the electrical conductivity stays reasonably high (approximately 1700 S/m) when 50% sand is added. Hydraulic conductivity measurements show that when a fracture is propped with pure PC, the measured fracture conductivity is greater than [Formula: see text] ([Formula: see text]) (dimensionless fracture conductivity greater than 100 for a shale with [Formula: see text] or 100 nD permeability) under a confining pressure of [Formula: see text] (6000 psi). This means that a fracture propped with PC is infinitely conductive in a typical shale formation. When sand is added, the fracture’s hydraulic conductivity becomes even higher, which clearly shows PC’s ability of sustaining high stresses. The proposed protocol provides a robust and effective method that can be generalized for lab testing for other candidate proppants. The data presented clearly show that PC has the potential for field-scale applications in EM hydraulic fracture diagnostics.

Geochemistry & Geophysics↗
DOE OSTI2023

SHASTA-HELP

This tool contains functionality for estimating the storage potential of pure and blended natural gas-hydrogen mixtures in various subsurface formations and is intended to be used for pre-characterization or site screening purposes. Detailed storage analysis should be conducted by full reservoir simulation models.

Hydrogen↗
DOE OSTI2024

IDAES-PSE 2.4.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications.. Deprecations • Convergence Analysis tool (idaes/core/util/convergence): deprecated in favor of new Parameter Sweep tools. To be removed in v3.0.0. New Beta Capabilities • Parameter Sweep Tool (idaes.core.util.parameter_sweep) o A new API for defining and performing parameter sweep studies on IDAES models has been developed • Diagnostics Tools (idaes.core.util.model_diagnostics) o New methods for identifying duplicate variables and constraints have been added to the diagnostics toolbox o New tools for detecting ill conditioning in Jacobians have been developed and are available in the model_diagnostics module. These provide alternatives to the existing DegeneracyHunter toolbox, and will eventually be merged with this capability, but initial working versions have been provided as beta capabilities for interested users o IpoptConvergenceAnalysis (replaces deprecated Convergence Analysis tool):  A new tool for performing convergence analysis studies that leverages the new Parameter Sweep tools has been developed. This tool allows users to define the input parameters to their model and sampling methods for these (leveraging Pysmo's sampling tools) and to then solve their model across the sampled domains and return a summary of the solver performance (IPOPT only) Improved Models • Thickener model (idaes.models.unit_models.solid_liquid.thickener) o Improved model to include predictive correlations for unit sizing based on settling velocity measurements (steady-state only) • Modular Property Packages o Added general support for calculating critical properties of mixtures using defined Equation of State modules. New API defined for Equation of State modules in order to define the necessary constraints for calculating critical properties (most EoS modules DO NOT support calculation of critical properties (yet)) o Added new methods to Cubic Equation of State module to support calculation of critical properties

DiagnosticsToolbox↗