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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

NaCl aggregation in water at elevated temperatures and pressures: Comparison of classical force fields

The properties of water vary dramatically with temperature and density. This can be exploited to control its effectiveness as a solvent. Thus, supercritical water is of keen interest as solvent in many extraction processes. The low solubility of salts in lower density supercritical water has even been suggested as a means of desalination. The high temperatures and pressures required to reach supercritical conditions can present experimental challenges during collection of required physical property and phase equilibria data, especially in salt-containing systems. Molecular simulations have the potential to be a valuable tool for examining the behavior of solvated ions at these high temperatures and pressures. However, the accuracy of classical force fields under these conditions is unclear. We have, therefore, undertaken a parametric study of NaCl in water, comparing several salt and water models at 200 bar–600 bar and 450 K–750 K for a range of salt concentrations. We report a comparison of structural properties including ion aggregation, hydrogen bonding, density, and static dielectric constants. All of the force fields qualitatively reproduce the trends in the liquid phase density. An increase in ion aggregation with decreasing density holds true for all of the force fields. The propensity to aggregate is primarily determined by the salt force field rather than the water force field. This coincides with a decrease in the water static dielectric constant and reduced charge screening. While a decrease in the static dielectric constant with increasing NaCl concentration is consistent across all model combinations, the salt force fields that exhibit more ionic aggregation yield a slightly smaller dielectric decrement.

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

DEEPEN 3D PFA Weights for Exploration Datasets in Magmatic Environments

DEEPEN stands for DE-risking Exploration of geothermal Plays in magmatic ENvironments. As part of the development of the DEEPEN 3D play fairway analysis (PFA) methodology for magmatic plays (conventional hydrothermal, superhot EGS, and supercritical), weights needed to be developed for use in the weighted sum of the different favorability index models produced from geoscientific exploration datasets. This GDR submission includes those weights. The weighting was done using two different approaches: one based on expert opinions, and one based on statistical learning. The weights are intended to describe how useful a particular exploration method is for imaging each component of each play type. They may be adjusted based on the characteristics of the resource under investigation, knowledge of the quality of the dataset, or simply to reduce the impact a single dataset has on the resulting outputs. Within the DEEPEN PFA, separate sets of weights are produced for each component of each play type, since exploration methods hold different levels of importance for detecting each play component, within each play type. The weights for conventional hydrothermal systems were based on the average of the normalized weights used in the DOE-funded PFA projects that were focused on magmatic plays. This decision was made because conventional hydrothermal plays are already well-studied and understood, and therefore it is logical to use existing weights where possible. In contrast, a true PFA has never been applied to superhot EGS or supercritical plays, meaning that exploration methods have never been weighted in terms of their utility in imaging the components of these plays. To produce weights for superhot EGS and supercritical plays, two different approaches were used: one based on expert opinion and the analytical hierarchy process (AHP), and another using a statistical approach based on principal component analysis (PCA). The weights are intended to provide standardized sets of weights for each play type in all magmatic geothermal systems. Two different approaches were used to investigate whether a more data-centric approach might allow new insights into the datasets, and also to analyze how different weighting approaches impact the outcomes. The expert/AHP approach involved using an online tool (https://bpmsg.com/ahp/) with built-in forms to make pairwise comparisons which are used to rank exploration methods against one-another. The inputs are then combined in a quantitative way, ultimately producing a set of consensus-based weights. To minimize the burden on each individual participant, the forms were completed in group discussions. While the group setting means that there is potential for some opinions to outweigh others, it also provides a venue for conversation to take place, in theory leading the group to a more robust consensus then what can be achieved on an individual basis. This exercise was done with two separate groups: one consisting of U.S.-based experts, and one consisting of Iceland-based experts in magmatic geothermal systems. The two sets of weights were then averaged to produce what we will from here on refer to as the "expert opinion-based weights," or "expert weights" for short. While expert opinions allow us to include more nuanced information in the weights, expert opinions are subject to human bias. Data-centric or statistical approaches help to overcome these potential human biases by focusing on and drawing conclusions from the data alone. More information on this approach along with the dataset used to produce the statistical weights may be found in the linked dataset below.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

The solubility and speciation of REE phosphate endmembers (CePO 4 and YPO 4 ) in Cl-rich aqueous fluids from 350 to 450 °C and implications for natural systems

The rare earth elements (REE) are important metals used increasingly in advanced technologies. Within the crust, the elements Ce and Y are commonly more abundant compared to other lanthanides and comprise important end-member constituents of REE-bearing minerals. Specifically, Ce is part of the light (L) REE which have larger ionic radii than the heavy (H) REE, which are grouped together with Y. These differences in ionic radius can lead to important physico-chemical trends within the lanthanide group. Despite a recent increase in experimental and thermodynamic data for the REE at high temperature and pressure, there is still a significant lack of these data at supercritical conditions. In this study we conducted batch-type experiments to measure the solubility of REE phosphates (CePO 4 and YPO 4 ) at varying starting pH (1.5–10), and salinity (0.01–1.4 mol/kg NaCl) at 350 and P sat , and from 400 to 450 °C at 700 bar. Results show that the solubility of Ce (33–0.14 ppb) is generally higher than Y (13–0.13 ppb) and that Ce complexes more strongly with both chloride and hydroxyl ligands compared to Y. The solubilities of both REE phosphates are highly pH-dependent and, to a lesser extent, depend on salinity at the studied conditions. The solubility data from this study were implemented into the GEMSFITS program to optimize the thermodynamic properties of Ce and Y hydroxyl and chloride species. The updated standard partial molal Gibbs energies of formation (Δ f G 0 T,P ) are used within the experimental temperature and pressure range to accurately predict the CePO 4 and YPO 4 solubility and Ce and Y speciation behavior. Based on the updated thermodynamic properties we also provide formation constants (log β n Cl,OH ) for Ce and Y hydroxyl and chloride species. Updated thermodynamic properties are applied to model REE-apatite dissolution and REE mobility based on the Pea Ridge iron oxide apatite deposit in Missouri, USA. The apatite dissolution model replicates natural observations including the replacement of monazite and xenotime after apatite and is an example of the utility of the new thermodynamic constants applied to supercritical crustal fluids. Furthermore, the findings of this study advance the predictive capabilities of geochemical models, our understanding of the behavior of individual REE, and permit modeling the overarching fractionation trends between LREE and HREE in supercritical crustal fluids.

58 GEOSCIENCES↗
DOE OSTI2023

Assessing Compatibility of Natural Gas Pipeline Materials with Hydrogen, CO 2 , and Ammonia

Here, in this study, we examine the efficacy of repurposing natural gas (NG) pipelines for transporting hydrogen blends (with NG), ammonia, and CO 2 (gaseous and supercritical) from the standpoint of materials compatibility. Some information pertaining to component performance is also included, especially those components critical for pressurization and monitoring of flow. A listing of critical pipeline components and materials was developed, and their compatibilities was assessed for each fluid or gas type based on known compatibilities. Results indicate that pipeline materials should be suitable for gaseous CO 2 and anhydrous ammonia, but hydrogen blends greater than 12% may be problematic. Current compressor/regulator stations will not be suitable for use with either supercritical CO 2 or ammonia. Important knowledge gaps were identified, including (1) polymer performance with hydrogen/NG blends at low pressures, (2) compressor/regulator station polymers and epoxy coating materials with supercritical CO 2 , and (3) metal performances of hydrogen/NG blends at low pressures.

03 NATURAL GAS↗
DOE OSTI2020

Evaluation of Steam Cycle Upgrades to Improve the Competitiveness of U.S. Coal Power Plants (Final Scientific / Technical Report)

Increasing the competitiveness of the existing pulverized-coal utility fleet in the United States may be achieved by decreasing heat rate, via increases in steam cycle efficiency through upgraded steam temperatures and use of latest technology available in steam turbine and blading design. The average net plant efficiency of the US coal-fired fleet is approximately 33% (HHV). Plant efficiency increases to approximately 41.4% (HHV) at 1,350°F (732°C) steam temperature. However, achieving these Advanced Ultra-Super Critical (AUSC) steam conditions requires the use of advanced high-temperature materials. While there has been a significant amount of DOE-funded materials R&D, most of the related design work has focused on new (greenfield) units, rather than on opportunities to retrofit this advanced technology to the existing utility fleet. If technology, based upon the advanced materials required for AUSC steam conditions, may be applied to the existing fleet, using an economically viable retrofit, a higher capacity factor can be expected as a result of the increased plant competitiveness. The Electric Power Research Institute (EPRI) was awarded a project by the US Department of Energy to examine the technical and economic feasibility of a series of steam cycle upgrades to the two most prevalent types of U.S. coal power plants: 2,400 psig (16.6 MPa) subcritical and 3,500 psig (24.1 MPa) supercritical pulverized coal units. The nine upgrade options that were originally being considered included increasing the main and reheat steam temperatures from 1,000°F (538°C) to 1,100°, 1,200°, and 1,350°F (593°C, 649°C, and 732°C) while holding the steam pressures constant at their original design values, and cases where just the main steam or reheat steam temperatures were increased. The objective was to minimize the modifications required to the existing power plant while still providing a significant improvement in heat rate. The upgrade options assumed that the boiler enclosure envelope remained unchanged from each base case, and that all applicable OEM design guidelines for normal commercial units were imposed. For the highest temperature supercritical case, an option of using a low-pressure molten salt loop to transfer heat from the furnace to the steam was examined. The first major task of the work scope was designed to examine the technical feasibility of various upgrade options, while the subsequent work determined economic viability of the technically feasible upgrade options. Prior to evaluating the effect of these increased temperatures, a “base case” model of a subcritical and supercritical PC boiler was created, which was used for comparative purposes. Upgrade options were evaluated at full-load, part-load and dynamic transient conditions. Once the technical feasibility of each upgrade option was evaluated, the economic value of the heat rate improvement of each feasible option was determined by detailed modeling of unit dispatch in several regional power markets. The dispatch model was used to estimate the amount of revenue from power sales the upgraded unit would receive in comparison to a non-upgraded version of the same power plant. As a parallel task to the dispatch analysis, the capital cost of implementing the upgrades was estimated. The capital cost estimates were then compared to the increased revenue estimated by the dispatch modeling to determine the economic attractiveness of each upgrade option. Several upgrade options were determined to be technically feasible. The net present value (NPV) of the costs for steam cycle upgrades considered in this study ranged from approximately $\$$111 to $\$$130 million. The economic modeling results show that the unit dispatch changes resulting from steam cycle upgrades are relatively small, due largely to heat rate (and operating cost) changes being relatively small. Additionally, the cost of each upgrade exceeds the net revenue increases associated with the upgrade case. Note that the breakeven values are higher for subcritical retrofits, but the capital costs for the subcritical upgrades are also slightly higher. In typical new pulverized coal plants, fuel accounts for approximately 25% of the cost of electricity (COE), while capital costs represent around 50% of the COE. Therefore, in order to improve the heat rate by 4% one can only afford to increase the capital cost by 2%, at the same cost of electricity. The conclusion of this study is that without a cost for emitting CO 2 , it will be difficult to pay for significant efficiency improvements on plants firing low cost coals.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Oxy-Combustion System Process Optimization

The overall objective of this work is to develop a new chemical absorbent-based, high pressure, CO 2 purification system to remove the residual oxygen that currently contaminates the recovered CO 2 , and to optimize the Pressurized Oxy-Combustion (POxC) process to minimize the Cost of Electricity (COE) generated in this advanced combustion process. TDA developed and validated the performance of the oxygen removal system for CO 2 purification. In collaboration with the Advanced Power & Energy Program (APEP) of University of California, Irvine (UCI), we optimized the POxC process, including thermal management, heat integration, and power cycle optimization using process design and modeling supported with Aspen Plus® process simulations. The techno-economic analysis results indicate that the pressurized oxycombustion coal power plant with Ion-transport membrane (ITM) air separation unit (ASU) (Case 2 – 30.55%) does not show an advantage over a cryogenic ASU (Case 1 – 31.24%) while TDA’s sorption-based ASU (Case 4 - 32.61%) shows a significant advantage over the cryogenic ASU (Case 1 – 331.24%). The specific plant costs show a wide range with a low of $2544/kW for Case 11C (TDA ASU, co-sequestering the SO x , and ultra-supercritical steam cycle) to a high of $2975/kW for Case 12A (cryogenic ASU and sCO 2 cycle). In general, the ITM ASU based cases have lower specific plant costs than the corresponding cryogenic ASU based cases while the TDA ASU based cases show the lowest specific plant costs. The main reason for lowering these costs is the higher overall plant thermal efficiency which decreases the plant cost on a $ per kW basis. Next comparing the cases with different power cycle working fluid conditions in terms of temperature and pressure while all utilizing steam, similar trends as the plant costs may be observed. However, with the supercritical CO 2 (sCO 2 ) cycle, the increase in thermal efficiency of the sCO 2 cycle was not able to offset its increase in plant cost making the plant costs higher than those of the corresponding steam cycle cases. The Cost of Electricity (COE) again shows similar trends as the specific plant costs. The COE for Case 11C at $110.1/MWh is also the lowest, but among all cases that do not co-sequester the SO x , Case 12C (TDA ASU and sCO 2 cycle) has the lowest COE at $\$$117.5/MWh while the highest is for Case 8A (cryogenic ASU and supercritical steam cycle) at $130.4/MWh.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2022

Re-establishment of Sandia National Labs super-critical carbon dioxide testing autoclave capability for exposure of metal alloys and polymers (Level 4 Milestone Report)

The sCO 2 system located in 916/160A, Sandia National Laboratories, CA, was constructed in 2014, for testing of materials in the presence of supercritical carbon dioxide (sCO 2 ) at high pressures (up to 3500 psi) and temperatures (up to 650°C). The basic design of the system consists of a thermally insulated IN625 autoclave, a high-pressure supercritical CO 2 compressor, autoclave heaters, temperature controllers, gas manifold, and temperature and pressure diagnostics. This system was modified in 2016 (sCO 2 compressor was removed) to enable corrosion studies with metal alloys in gaseous CO 2 at lower pressure (up to 300 psi) at 500°C. The capability was not used much afterwards until 2020, when preliminary tests using this capability (again without the supercritical CO 2 compressor) involved the exposure of fatigue and tensile specimens of HN 230 and 800H alloys to CO 2 gas for 168 hours in gaseous CO 2 . Using this capability, we finished experiments with low pressure (450 psi/ 3 MPa), high temperature (650°C) exposure of fatigue and tensile specimens of HN 230 and 800H alloys to CO 2 gas for 168 hours. The data from these experiments will be compared to that gathered from experiments performed in 2020 using the tube furnace and presented in a future report. It is to be noted that the tube furnace experiments ran 500-1500 hours, unlike the 168 hours of exposure in the recent experiment. This can help validate the use of the sCO 2 autoclave for both CO 2 and sCO 2 experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Aerogel with Unparalleled Performance and Cost-Effectiveness for All Insulation Needs (CRADA Final Report)

Westwood Aerogel investigated the reproducible production of an ambiently or electromagnetic spectrum assisted drying of extremely porous aerogel materials. Traditional aerogel processing is limited by low throughput and scalability due to supercritical drying. Westwood Aerogel’s advanced manufacturing process enables commercialization and deployment at scale, making aerogel materials more accessible to a range of industries and applications. We focused on shifting from the lab scale environment to manufacturing prototypes. The initial manufacturing model is based on the float glass process, which is the industry standard for glass window production, and the paper drying process. By incorporating an ambient drying process a continuous line model can be used from start to finish. The project team worked to develop a continuous manufacturing system to scale-up and reduce costs while maintaining the lightweight and insulative properties of aerospace-grade aerogel. While aerogels are extremely insulative, lightweight, and thin materials (making them ideal insulators across application spaces), high costs and stagnant innovation have hampered their wider adoption. Traditional manufacturing of aerogel requires supercritical extraction of pore fluid to obtain highly insulating materials, which is an energy intensive batch process and limits aerogel production output. Westwood Aerogel’s proprietary ambient drying process enables the continuous production of highly insulative aerogel materials without the use of supercritical extraction.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Compact Counter Flow Fluidized Bed Heat Exchanger (Final Report)

Generation 3 concentrating solar power systems which utilize solid granular media as the heat transfer and storage media hold promise in reducing the levelized cost of electricity relative to generation 2 systems which utilize molten salt. The particles can be heated to temperatures exceeding 800 °C which enables the use of high efficiency supercritical CO 2 Brayton power cycles. A key challenge associate with the use of solid media is its low bulk thermal conductivity which limits the ability to transfer heat from the particles to a working fluid, such as supercritical CO 2 . Tradition shell and tube and shell and plate heat exchangers feature gravity driven particle flow which limits the maximum particle side heat transfer coefficient in these systems to approximately 400 W/m 2 K. A fluidized bed heat exchanger does not rely solely on gravity for particle flow. Instead, enhanced mixing and horizontal conveyance is achieved through fluidization induced through air injection at the bottom of a bed of particles. A tube bundle within the bed conveys the supercritical CO 2 which is heated via the turbulent particle motion at the tube wall.

14 SOLAR ENERGY↗
DOE OSTI2020

Low pressure drop advanced swirl technology gas filter

A media-free filter device for a supercritical fluid process is disclosed. The media-free filter device includes a first pipe section connected in flow communication with a closed-loop system for a supercritical fluid. A y-pipe segment intersects the first pipe section at an intersection joint. The intersection joint intersects at a descending obtuse angle with respect to the first pipe section flow direction. The y-pipe segment is open at the intersection joint and closed opposite the intersection joint, in flow communication with the first pipe section. The y-pipe section induces an eddy current turbulence zone adjacent the intersection joint to remove substantially all contaminants suspended in the supercritical fluid; and the contaminants are deposited in the descending y-pipe segment. An SCO2 process incorporating the media-free filter device is also disclosed.

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

Future of the MUSiC Experiment Data

The Measurements of Uranium Subcritical and Critical (MUSiC) experiment was a highly enriched uranium (HEU) experiment performed at the National Criticality Experiments Research Center (NCERC) executed between December 2020 and April 2021. The experiment intended to measure criticality and reactor kinetics parameters in a bare HEU system. The experiment concurrently measured radiation signatures from the system while utilizing different neutron source types. This was an attempt to benchmark both detectors and analysis techniques against one another for identical measurements. The experiment consisted of the Rocky Flats HEU hemi-shells constructed into ten configurations spanning between deeply subcritical (about 14 kgs) to supercritical (about 60 kgs). Two of the ten configurations were supercritical and the other eight were subcritical. The two supercritical configurations, often referred to as the critical configurations, were documented into an International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmark evaluation and submitted to the technical review group (TRG). The subcritical configurations of the MUSiC experiment were examined using three different detection systems. The systems include: the NoMAD He-3 neutron detector which consists of 15 He-3 tubes surrounded by a polyethylene matrix, a liquid scintillator system called the Rossi-α Measurement Rapid Organic Discriminating Detector (RAM-RODD), and a trans-stilbene organic scintillator array (OSCAR) provided by the University of Michigan. The NoMAD and RAM-RODD data are planned to be evaluated in two separate ICSBEP evaluations utilizing neutron noise methods such as Feynman Variance-to-Mean, Rossi-α and the pulsed neutron source method. Each of the subcritical configurations were examined using three different source types including: a Cf-252 source in the center, with only the intrinsic neutron source in the HEU, and with an external D-T neutron generator.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Design of Modular Test Facility for Particle/sCO2 Heat Exchanger Evaluation

Heliogen has designed a 1.3 MW particle and supercritical carbon dioxide (sCO2) test loop to retire technical and manufacturing risks. The data from this facility will be used to validate near commercial-scale particle heat exchanger modules. The heat exchanger is scaled to capture all features of the full-scale modules. Testing will be conducted with CARBOBEAD HSP 16/30, a larger particle size than other recent testing. The system was designed to ASME codes with the constraint that sCO2 piping and other major components are stainless steels.

14 SOLAR ENERGY↗
DOE OSTI2025

Study on ammonia and dimethyl ether oxidation and kinetic interaction up to 100 atm

NH 3 and DME dual fuel oxidation and kinetic coupling are experimentally studied by using a supercritical pressure jet-stirred reactor (SP-JSR) at 20 and 100 atm, over a temperature range of 500–900 K, and at fuel-lean and stoichiometric conditions with NH 3 to DME molar ratios of 4 and 0.62, respectively. An HP-Mech model for high-pressure NH3/DME oxidation is developed based on our previous studies and it shows generally better performance than other models in the literature on high-pressure oxidation experiments. Due to DME’s strong low-temperature reactivity, it dramatically enhances the oxidation of NH3 at low temperature. However, the effect of NH 3 on DME oxidation varies with temperature. At low temperatures, NH 3 inhibits low-temperature reactivity by consuming OH radicals. In addition, the NH 2 and NO x formation from NH 3 further suppresses the low-temperature DME reactivity by reducing alkylperoxyl and O 2 QOOH radicals via RO 2 + NH 2 = RO + H 2 NO, RO 2 + NO = RO + NO 2 and O 2 QOOH + NO = 2CH 2 O + HO 2 + NO 2 . At intermediate temperatures, due to enhanced kinetic coupling of NH 2 /NO x /HO 2 chemistry, DME oxidation is significantly promoted. It is found that there are two major NH 2 /NO x /HO 2 coupling pathways for OH radical production brought by NH 3 : (1) NH 2 + HO 2 = H 2 NO + OH and (2) NH 2 + NO 2 = H 2 NO + NO with NO + HO 2 = OH + NO 2 . Moreover, the resulting H 2 NO will further contribute to OH production via the H 2 NO/NO x /HONO coupling pathways: H 2 NO + NO 2 = HNO + HONO, HNO + NO 2 = HONO + NO, and HONO (+M) = OH + NO (+M). These new NH 2 /NO x /HO 2 and H 2 NO/NO x /HONO pathways play a critical role in promoting DME oxidation at intermediate temperatures. Novelty and Significance Statement: Blending NH 3 with DME can significantly enhance the reactivity of NH 3 and facilitate its practical application in advanced internal combustion engines. NH 3 /DME oxidation is studied in a novel supercritical pressure jet-stirred reactor up to 100 atm, a much higher pressure than previous studies. An interesting non-monotonic effect of NH3 addition on fuel oxidation has been found. Unique kinetic couplings of NH2/HO2/NOx and H2NO/NOx/HONO brough by NH3 and DME blending are identified to play important roles in radical generation and reactivity promotion. The valuable experimental data and key kinetics revealed in the current work can tremendously improve our understanding of NH 3 /DME oxidation via NO x /RO 2 and NH 2 / H 2 NO/HO 2 /NO x kinetic couplings at low to intermediate temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

One-step transformation of biomass to fuel precursors using a bi-functional combination of Pd/C and water tolerant Lewis acid

Direct one-pot transformation of lignocellulosic biomass has been developed as an effective and sustainable strategy to produce fuel blend stocks and high value chemical building blocks. In this wok, a bi-functional catalyst system consisting of palladium supported on carbon (Pd/C) and metal triflates (i.e., Sm(OTf) 3 , La(OTf) 3 , and Cu(OTf) 2 ) were shown to promote the biomass liquefaction in both hot-compressed water and supercritical ethanol medium, converting fir wood into oxygenated compounds. We report the highest bio-oil yield from hydrothermal liquefaction (HTL) was 10.47 wt% over Pd/C whereas the highest bio-oil yield of 49.71 wt% was achieved from supercritical ethanol liquefaction (SCEL) over the bi-functional catalyst system of Pd/C and La(OTf) 3 . Higher heating values, carbon recovered values and boiling point distributions were further determined for elucidating the physical properties of the bio-oils. Gas chromatography mass spectrometry (GC–MS) analysis of the bio-oils revealed the chemical composition of the bio-oils. Substituted phenols and cyclopentenone/cyclopentanone type compounds consisted of more than 60 area% of the total products from HTL, whereas phenol and esters represented the major products from SCEL. The major reaction pathways are proposed based on the GC–MS results, which include depolymerizaton, isomerization, dehydration, condensation, and hydrogenation.

09 BIOMASS FUELS↗
DOE OSTI2022

Optimization and Techno-Economic Comparison of Regenerators and Recuperators in sCO2 Recompression Brayton Cycles for Concentrating Solar Power Applications

Supercritical CO2 power cycles might be capable of providing the cost reductions and efficiency improvements necessary to reach concentrating solar power (CSP) cost targets, but require large, highly effective recuperators. Fixed-bed regenerators are a periodic heat exchanger that could be an effective yet low-cost alternative to these recuperators. This study presents a techno-economic comparison of regenerators and recuperators for a 100 MWe supercritical CO2 power cycle for CSP applications. We quantify the levelized cost of energy (LCOE) for the power plant with both types of heat exchangers, and explore sensitivity of LCOE to parameters such as CSP-specific capital costs, power cycle component capital costs, and regenerator valve replacements costs. Results indicate that the incumbent printed circuit heat exchangers achieve the lowest LCOE, unless the upper extreme of PCHE capital cost and lower extremes of regenerator and valve capital and O&M costs are realized. Sensitivity analysis also illustrates that the primary heat exchanger cost is the most influential of power cycle components, and that CSP component capital cost is more influential than power cycle capital costs. This illustrates the importance of reducing the cost of heliostats, receivers, and thermal energy storage for achieving CSP LCOE targets.

OTHER INSTRUMENTATION,SOLAR ENERGY↗
DOE OSTI2021

Pressurized in situ X-ray diffraction insights into super/subcritical carbonation reaction pathways of steelmaking slags and constituent silicate minerals

This study explores mineral carbonation of industrial stainless steelmaking slags and relevant synthetic constituent minerals via in situ pressurized X-ray diffraction, to clarify carbonation reaction pathways and efficiency for carbon storage and waste valorization. The primary mineral phases of Argon Oxygen Decarburization (AOD) and Continuous Casting (CC) slags, namely, åkermanite, bredigite, cuspidine, merwinite, and β- and γ-C 2 S, were reacted in a custom-built beryllium-capped XRD reactor filled with either water-saturated (wet) subcritical CO 2 (g), or wet supercritical CO 2(SC) , in a series of carbonation experiments. Formation of calcite and aragonite was observed for most Ca-bearing minerals, transient precipitation of metastable vaterite was observed, while carbonation of AOD and CC slags in CO 2(SC) resulted in hydrated crystalline calcium carbonates and indirect evidence of amorphous carbonate. Overall, results obtained suggest that low-pressure subcritical carbonation routes are attractive for standalone slag carbonation processes, while high-pressure supercritical carbonation routes are amiable to symbiotic integration with CO 2(SC) -generating green technologies.

42 ENGINEERING↗
DOE OSTI2020

How Collective Phenomena Impact CO 2 Reactivity and Speciation in Different Media

CO 2 has attracted considerable attention in the recent years due to its role in the greenhouse effect and environmental management. While its reaction with water has been studied extensively, the same cannot be said for reactivity in supercritical CO 2 phase, where the conjugate acid/base equilibria proceed through different mechanisms and activation barriers. Furthermore, in spite of the apparent simplicity of the CO 2 + H 2 O reaction, the collective effect of different environments has drastic influence on the free energy profile. Enhanced sampling techniques and well-tailored collective variables provide a detailed picture of the enthalpic and entropic drivers underscoring the differences in the formation mechanism of carbonic acid in the gas, aqueous and supercritical CO 2 phases.

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

Pore-Scale Microenvironments Control Anthropogenic Carbon Mineralization Outcomes in Basalt

Thin sections and hand samples from 50 sidewall cores from the Wallula Basalt Pilot Demonstration, a basaltic carbon sequestration demonstration, provided the opportunity for the in-depth analysis of carbon mineralization induced by the injection of supercritical CO 2 . In this study, we used optical petrography and scanning electron microscopy to characterize the physical and chemical characteristics of the basalt components influenced by carbon mineralization reactions from all available hand samples and thin sections within the three CO 2 injection zones and caprock flow interiors. We found extensive carbonate mineralization, mostly in the form of nodules that were shown to be chemically zoned: Ca-dominant in the core regions and Ca-bearing Fe-dominant in the outer regions. Carbonate mineralization also took the form of fracture-filling carbonate cement, and acicular aragonite was also observed. Overall, we clarified the structural and paragenetic relationships between newly formed minerals, identifying a new fibro-palagonite-like, poorly crystalline silicate phase that grew on the carbonate nodules and pore-lining zeolites. Here we observed Fe-dominant carbonate precipitates surrounding acicular aragonite and rhombohedral Ca-carbonate cores, whereas previous studies of these zoned nodules did not observe these structures. A comprehensive accounting of the carbon mineralization products is vital to understand and predict the behavior of supercritical CO 2 in the subsurface given both the diversity of the host rock between and within injection zones, especially considering that the morphology and chemistry of the diverse precipitates are influenced by the pore-scale microenvironments of the basalt.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗