Modeling and Benchmarking Geologic Hydrogen Processes with the Dusty Gas Model
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Fukuyama, David Erik [Sandia National Laboratories↗
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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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A Mixed-Integer Programming Framework for Placement of Fire and Gas Detectors in Chemical Processing Facilities.
Abstract not provided.
Klise, Katherine↗
Soil gas probes for monitoring trace gas messengers of microbial activity
Abstract Soil microbes vigorously produce and consume gases that reflect active soil biogeochemical processes. Soil gas measurements are therefore a powerful tool to monitor microbial activity. Yet, the majority of soil gases lack non-disruptive subsurface measurement methods at spatiotemporal scales relevant to microbial processes and soil structure. To address this need, we developed a soil gas sampling system that uses novel diffusive soil probes and sample transfer approaches for high-resolution sampling from discrete subsurface regions. Probe sampling requires transferring soil gas samples to above-ground gas analyzers where concentrations and isotopologues are measured. Obtaining representative soil gas samples has historically required balancing disruption to soil gas composition with measurement frequency and analyzer volume demand. These considerations have limited attempts to quantify trace gas spatial concentration gradients and heterogeneity at scales relevant to the soil microbiome. Here, we describe our new flexible diffusive probe sampling system integrated with a modified, reduced volume trace gas analyzer and demonstrate its application for subsurface monitoring of biogeochemical cycling of nitrous oxide (N 2 O) and its site-specific isotopologues, methane, carbon dioxide, and nitric oxide in controlled soil columns. The sampling system observed reproducible responses of soil gas concentrations to manipulations of soil nutrients and redox state, providing a new window into the microbial response to these key environmental forcings. Using site-specific N 2 O isotopologues as indicators of microbial processes, we constrain the dynamics of in situ microbial activity. Unlocking trace gas messengers of microbial activity will complement -omics approaches, challenge subsurface models, and improve understanding of soil heterogeneity to disentangle interactive processes in the subsurface biome.
04 OIL SHALES AND TAR SANDS↗
Investigation of powertrain system decarbonization using electrically assisted turbocharging and hybridization in off-road vehicles
In recent years, the causes, effects, and existential threat of a global anthropogenic climate shift have drawn significant attention and stimulated mitigation efforts from all genres of scientific, political, and industrial bodies. The greenhouse effect and the detrimental environmental impact of excess greenhouse gas (GHG) emissions, like carbon dioxide, is well studied and targeted as the primary culprit for aversive action. However, some fields exist where reducing GHG emissions is met by considerable challenges. One such field is the production and operations of off-road vehicles. Applications of these vehicles are highly diverse and are often characterized by rugged, especially transient, and power intensive duty cycles that make one-fits-all vehicle configuration solutions impractical. This research surveys existing literature to identify the modern technologies packages and challenges that face development and configuration of powertrain systems which currently navigate the regulated emissions and unique duty cycle requirements of this market space. A novel powertrain concept is proposed and evaluated with respect to the pinnacle objectives of load performance improvement, criteria pollutant reduction, and reducing the life cycle GHG intensity of its operation. A sure-fire path to vehicular GHG reduction is through improving the fuel efficiency of internal combustion engines (ICEs), an entrenched component of the off-road vehicle sector. Unfortunately, this is more easily said than done. An approach that has proven successful in this endeavor is engine downsizing and turbocharging, where a larger engine is replaced with a smaller one with added air system boosting via turbocharger to reduce frictional and pumping losses while also enabling access to additional fuel energy. However, practical realization of these potential benefits is often impeded by the transient response capability of the smaller engine across the operating space. For this reason, downsized ICE powertrains have turned to electrified forced induction systems (EFISs) for a decoupling of exhaust energy and engine speed from boost capability. Platformed on 48V hybrid technology, these systems introduce the need for more sophisticated controls around the engine gas-exchange process for the management of boost performance and exhaust gas emissions. On this account, simulation studies utilizing a GT-POWER model of a turbocharged 4.5 L engine outfit with an EFIS using an electrically driven compressor (eBooster®) are conducted to provide insight into the performance of this air handling architecture on an off-road engine. The results show that improvement in transient torque response time in sync with reduction in engine-out soot and NOx emissions are possible with an engine recalibration that leverages the transient air-fuel ratio authority of the eBooster®. Benefits are further demonstrated when duty cycle simulations of the 48V mild-hybrid engine concept are exercised, showing an acute decrease in cumulative fuel usage and soot production. Powertrain hybridization is another technological pathway achieving pronounced GHG reduction successes in modern on-road vehicle applications through integration of Li-ion battery technology. In the off-road vehicle segment, a review of available literature concludes that hybridized architectures are present but generally lack the depth of technologies that have both high specific energy and power capabilities, and thus are limited in their inclusion of Li-ion batteries for ICE assistance and enhanced energy storage capability. Therefore, building on the mild-hybrid engine results, the downsized and eBoosted engine concept was integrated into a larger high-voltage battery-hybrid series-electric powertrain system. Hybrid powertrain parameter sensitivity studies were carried out in a numerical charge-sustaining framework, providing novel insights into power flows between the battery and the engine and how their respective capabilities and operation contribute to GHG and criteria pollutant emissions of diverse duty cycles. Application of supervisory power management introduced robustness into the power sourcing and battery SOC control process and showed that optimum specification of battery properties can yield synergies between GHG emissions and battery energy capacity. Furthermore, examination of recent literature on Li-ion batteries has shown that pack manufacturing is a highly energy intensive process, thereby producing considerable quantities of GHGs that scale with energy storage capacity. Also scaling with a battery’s energy storage capacity is its investment cost. In consideration of these factors, an inclusive technoeconomic and GHG life cycle analysis is conducted. This analysis systematically compares the carbon footprint and total cost of ownership associated with the proposed hybrid powertrain concept to reference and alternative powertrain configurations, facilitating a thorough evaluation of the decarbonization effectiveness and economic viability.
99 GENERAL AND MISCELLANEOUS↗
Transformational Nano-confined Ionic Liquid Membrane for Greater than or Equal to 97 Percent Carbon Dioxide Capture from Natural Gas Combined Cycle Flue Gas
A transformational process based on nano-confined ionic liquid (NCIL) membranes was developed for capturing ≥97% CO 2 from natural gas combined cycle (NCCC) flue gas. The NCIL membranes were prepared by loading amino acid ionic liquid into a framework composed of single-walled carbon nanotube mesh filled with graphene oxide quantum dots. The membranes exhibited CO 2 permeance as high as 2,000 GPU with a CO 2 /N2 selectivity of 2,300 for a typical NGCC flue gas composition. When H 2 O vapor sweep was applied in the permeate side, 96.6% CO2 dry-basis purity and 97.6% CO 2 capture rate were achieved for a simulated NGCC flue gas with single stage. In the process design, a highly H 2 O-selective membrane would be needed to recover majority of the H 2 O vapor, and the recovered H 2 O vapor could be recycled to the permeate side of the NCIL membrane. Sulfonated poly(ether ether ketone) membranes were successfully developed for this purpose. These membranes exhibited H 2 O permeance great than 11,000 GPU and H 2 O/CO 2 selectivity greater than 1,000 at 70ºC for a feed mixture consisting of 14.5 vol% H2O and balanced CO 2 . A standalone membrane model using MATLAB platform was developed for process simulation. The model was validated with experimental data. Techno-economic analysis based on the testing data collected during the current program suggests this transformational membrane process can achieve 97% CO 2 capture efficiency with a cost of $47.8/tonne of CO 2 , which is a 21% reduction versus DOE’s reference case B31B.97.
03 NATURAL GAS↗
CFD Simulations of Metal Powder Production by Gas Atomization
Many crucial components in energy production, e.g., stationary gas turbines and A-USCS power plants, are desirable to manufacture by additive manufacturing (AM) with the full development of the materials and processes. Typical gas atomized (GA) feedstock for metal AM is produced in spherical powder form, but often inefficiently with a wide size distribution and with reduced quality, e.g., having internal porosity, heavily oxidized surfaces, and “satellites” that degrade printing and build quality. The proposed project aims to significantly enhance the efficiency/precision and, moreover, the quality of metal powder production by computational fluid dynamics (CFD) simulations, probing the details of the physical processes occurring in supersonic gas atomizers. The goals are improving the desired powder size range yield and quality of GA powder, reducing material and energy production costs, and helping fulfill the immense the potential of AM, thereby enhancing the competitiveness of US manufacturing and of energy and transport sectors.
36 MATERIALS SCIENCE↗
Plasma Process for Using CO2
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54 ENVIRONMENTAL SCIENCES↗
Sorbent Based Post-Combustion CO 2 Slipstream Testing
TDA Research, Inc. has developed a low-cost sorbent (alkalized alumina) based technology for post-combustion CO 2 capture. The sorbent runs in an isothermal process for adsorption and regeneration. Neither temperature swing nor pressure swing is needed. TDA designed a system which operated 10 fixed beds to simulate a moving bed process. The flow pattern was optimized to minimize the steam usage for regeneration. An excellent sorbent (Batch 1) was also developed with collaboration with our partner. The sorbent degraded after long term operation. We developed a reprocessing procedure, which can be conducted in situ, to restore the sorbent capture capacity as the fresh sorbent after running for about 1250 hours. The reprocessing extended the sorbent longevity significantly. TDA designed a pilot unit (40’ x 32’ x 11.5’), processing flue gas equivalent to 0.5 MW of power generation. It had 10 beds and each bed could hold 1.75 m 3 of sorbent. We worked with Springs Fabrication, Inc. to complete the construction of the pilot unit. It was then shipped and installed at NCCC. The pilot unit was kept running in 24-hour mode when the flue gas and steam were available. It could run automatically without operator on site. Parametric and long-term (2 months) tests were carried out successfully. The results showed that TDA’s process can achieve 90% capture and 95% CO 2 purity for both coal and NG flue gases. For coal flue gas, the system reached performance target when processing up to 0.62 MW flue gas, 24% higher than the design capacity. Thus, capital cost could be saved on the reactors and sorbent. The strip air flow was designed to be 0.25 of that of the flue gas. The test data showed the strip/flue ratio can be reduced to as little as 0.18, which saves the power consumption for the strip air blower. The pressure drop was found to be lower than what the empirical equation calculated. The sorbent still had 91.7% of original capacity after 3-month test. With the data from the pilot test, we updated the TEA. For a 550-MW e supercritical coal fired power plant with CO 2 capture, the capture cost for TDA’s process is $34.9/tonne CO 2 captured, which meets DOE’s goal of $40/tonne and is 17.1% less than the DOE baseline Case 12. Therefore, TDA’s process has a good potential for commercialization.
01 COAL, LIGNITE, AND PEAT↗
DECOVALEX-2023: Task A Final Report
Task A, also known as HGFrac, examines the fracturing processes that may occur in the Callovo-Oxfordian claystone (COx) in the context of the high-level (HLW) and intermediate-level long-lived (ILW-LL) radioactive waste repository in France. Understanding these processes and improving numerical models to reproduce them will aid in the design, optimization, and safety of the repository. Heat and gas fracturing are studied in two independent subtasks following a stepwise approach: laboratory tests/benchmark exercises, in-situ experiment, and finally, an application case. The in-situ heater experiment aimed to thermally induce a hydraulic fracture; temperature and pore pressure were monitored to detect any evidence of fracturing. The in-situ gas injection experiment aimed to study the effect of the stress orientation and gas injection kinetics on the gas fracturing process. The occurrence of fracturing was monitored by gas pressure measured in the injection interval. In both experiments, the excavation-induced fracture network around the heater/injection boreholes played an important role in the reduction of the compressive stress state, leading to both a tensile and shear failure response of the COx. During the first two years of the project, the research teams working on each task developed and/or proposed numerical approaches for reproducing the occurrence of fracturing in the in-situ experiments. The failure criteria were defined by reproducing the measurements from laboratory extension tests for the heat fracturing subtask. In the gas fracturing subtask, their approaches were used for simulating several benchmark exercises, and an inter-comparison between models was carried out. In both tasks, the developed approaches were compared with a simplified approach considering poro-elasticity for the mechanical behaviour of the COx. Most of the developed approaches are based on a continuous medium that takes into account variations in hydraulic properties due to mechanical degradation, such as plastic deformation or damage. Other approaches implicitly modelled weak planes or embedded discontinuities to reproduce fracture propagation. The potential for fracture initiation was also studied through of a discrete approach. In the second half of the project, the research teams mainly focused on interpretative modelling of two in-situ experiments and a blind prediction exercise to test their respective approaches. The models developed by the research teams were also applied at the repository scale to evaluate fracture initiation in a case study under vi unfavourable conditions, particularly in terms of spacing between High-Level Waste cells. The results showed that the poro-elasticity approach could be an efficient tool for understanding the main processes occurring in the COx. One example is the explicit representation of the excavation-induced fracture network around the boreholes, which yielded acceptable results compared to the measurement data. However, advanced approaches were needed to evaluate the potential increase of the excavation-induced fracture network extend and better understand fracture initiation. The stress analyses carried out by the teams revealed that hydraulic boundary conditions had a strong impact on fracture initiation in the heater experiment. Furthermore, in most cases, the results required higher pore pressure increments to reach fracturing than those measured in the experiment. This implies that the measurements may have been biased by the packer’s capacity to fully isolate the piezometric chambers, leading to lower pressures. On the contrary, there was no agreement on the fracturing mode, as some reported either shear or tensile fracturing, while others reported a combination of the two modes. In the case of gas fracturing, the research teams were limited to the comparison of a single point, which complicated their task. Nonetheless, the numerical results were able to reproduce the measurements and capture processes such as longitudinal gas flow through the excavation-induced fracture network, as suggested by some evidence in the observation piezometric chambers. The numerical models also agreed with the measurements in the sense of higher probability of developing along the injection borehole than radially towards the sound rock. The approaches developed by the research teams showed that they are capable of analysing and reproducing fracture initiation in the COx. However, areas of future work should focus on the fracture propagation and fracture aperture, which were out of the scope of this task. To this end, additional data must be gathered for the parameter characterisation and validation of the numerical models. Nonetheless, various approaches showed promising results as they were able to reproduce fracture development under certain conditions.
12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
Light-induced switchable adsorption in azobenzene- and stilbene-based porous materials
Despite the long history of porous materials as adsorbates, fundamental limitations remain regarding the efficient capture and release of the gas molecules, with the working capacity of the material often overlooked. In microporous materials, the uptake is dominated by low-pressure adsorption, with much of this being at pressures below the minimum working threshold for many gas utilization processes. Thus, research has focused on several advances in porous materials, including photoresponsive organic units for light-induced switchable adsorption. This process utilizes light to trigger structural or electronic changes, alter the gas uptake, and change the working capacity. Additionally, while a relatively recent development, there is a significant body of research regarding the use of light to control gas storage performance.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
U-gas +Cool GTL™ - A New Integrated Process for Direct Biomass Conversion to Liquid Fuels
The U-Gas gasification technology, marketed by Sungas, is a proven fluid bed gasification technology for biomass conversion. U-Gas has been tested on a wide variety of biomass feeds including wood and waste streams. The U-Gas Technology has successfully converted wood for more than 20 years in a gasification plant in Skive Denmark at the 150t/d size. GTI has also recently developed the Cool GTL process for converting biogas to high quality gasoline, jet, and diesel fuels. The technoeconomics and LCA for the combination of the two technologies results an integrated optimized process, which will be discussed. The Cool GTL process is still in development and the development should be complete by 2023. Cool GTL converts high CO2 content feeds to synthesis gas with a 2-2.4/1 H2/CO ratio suitable for fuels synthesis. The process is based on a novel, highly stabile CO2/steam reforming catalyst. The 2.0-2.4/1 H2/CO synthesis gas ratio is always achieved, independently of feed CO2 content, by adjusting the amount of water added according to the amount of CO2 in the feed. The reformer catalyst has been tested for 500 hours and shows no measurable deactivation. The product from the reformer then goes directly to a low temperature slurry bed Fischer Tropsch reactor with an integrated finishing hydroisomerization reactor which makes hydrocarbon liquids from the synthesis gas. With this configuration no wax is produced. The technoeconomics and carbon intensity for the integration of UGas and the Cool GTL processes will be compared to other biomass conversion approaches. The use of electrolysis to boost H2 in the feed and increase liquid production will also be analyzed as a potential process improvement with sensitivities to the cost of electricity and the use of renewable electricity.
09 BIOMASS FUELS↗
Production of mechanically-generated 316L stainless steel feedstock and its performance in directed energy deposition processing as compared to gas-atomized powder
The objective of this work is to study the feasibility of mechanically-generated feedstock for use in directed energy deposition (DED) processing. Mechanically-generated powder was created by machining 316L stainless steel bar stock followed by comminution of the resulting chips through oscillation ball milling. This methodology's production yield and processing time for the specifications of a commercially available DED system are presented along with resulting powder morphology. Performance of the mechanically-generated feedstock was compared to gas-atomized powder and evaluated based on the following figures of merit: flowability, printed part height, printed part density, and chemical compositional stability throughout processing. Mechanically-generated feedstock was created to meet deposition system requirements. Compared with gas-atomized powder, mechanically-generated powder did not flow as well through the powder-delivery system. Parts printed from mechanically-generated feedstock were generally taller than their counterparts from gas-atomized feedstock, but their densities were less predictable. As a result, chemical composition of prints using both feedstocks was within standard nominal compositions for 316L stainless steel.
36 MATERIALS SCIENCE↗
Iodine Capture Studies of Silver Mordenite and Novel Alternative Metal Sorbents
Radioiodine is one of the radionuclides of concern when considering reprocessing of used nuclear fuel (UNF). It is expected to be released primarily in the dissolver off-gas (DOG) stream. Sorbents that target I 2 removal from a UNF processing off gas must perform efficiently under elevated temperatures in the presence of water vapor and nitrogen oxide gasses (NOx). Many studies have been conducted that examine the adsorption of iodine species in the presence of NOx gases through reduced silver-exchanged mordenite (Ag 0 Z), a zeolite mineral. This study characterizes the effects of iodine, water vapor, and nitrogen dioxide on the adsorption of I 2 by Ag 0 Z at lower temperatures suitable for comparison with novel Cu- and Bi- bearing sorbents which offer a non-RCRA alternative. When exposed to ‘harsh’ conditions such as I 2 , H 2 O, and NO 2 vapors carried by air, Cu 2 S-polyacrylonitrile (PAN) is more efficient than Ag 0 Z and all other novel sorbents, providing with 11% I capture efficiency. However, under ‘ideal’ conditions in which I 2 is carried by dry air), Ag 0 Z is more efficient than Cu 2 S-PAN and other novel sorbents, providing 74% I capture efficiency. To investigate this result and the overall performance of all sorbents tested, several characterization techniques were employed, including thermal gravimetric analysis, scanning electron microscopy – electron dispersion X-Ray spectroscopy, powder X-ray diffraction, and X-ray photoelectron spectroscopy. These techniques are discussed within this report. This document also includes a design and test plan update from Idaho National Laboratory as the next step in testing the high performing sorbents from thin-bed tests carried out by Oak Ridge National Laboratory.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Gas Separations using Nanoporous Atomically Thin Membranes: Recent Theoretical, Simulation, and Experimental Advances
Abstract Porous graphene and other atomically thin 2D materials are regarded as highly promising membrane materials for high‐performance gas separations due to their atomic thickness, large‐scale synthesizability, excellent mechanical strength, and chemical stability. When these atomically thin materials contain a high areal density of gas‐sieving nanoscale pores, they can exhibit both high gas permeances and high selectivities, which is beneficial for reducing the cost of gas‐separation processes. Here, recent modeling and experimental advances in nanoporous atomically thin membranes for gas separations is discussed. The major challenges involved, including controlling pore size distributions, scaling up the membrane area, and matching theory with experimental results, are also highlighted. Finally, important future directions are proposed for real gas‐separation applications of nanoporous atomically thin membranes.
2D materials↗
CO2 Valorization via Rewiring Carbon Metabolic Network
Energizing the world sustainably requires revolutionizing the way we harness natural resources. New renewable technologies include the microbiological upgrading of CO2, the primary greenhouse gas that causes climate change. This project aims to develop a new bioeconomy by taking up CO2 and converting it into high-value products using an autotrophic microbe. Specifically, the team constructed an acetogenic bacterium, Clostridium ljungdahlii, and developed gas fermentation processes that convert syngas (CO2/H2/CO) to the platform compound 3-hydroxybutyrate (3HB). The project has achieved several key successes, including the design and construction of 3HB genes in the gas-fermenting bacterium, the identification of a native 3HB pathway, the conversion of syngas to 3HB through strain engineering, and the improvement of the conversion through rational and iterative strain development. The optimized strain has achieved industry-relevant production rates (0.1 g/L/h) and titers (9.2 g/L), and sustained continuous gas fermentation for 3HB production for > 50 days in a bench-top gas bioreactor. The project has both industrial and scientific implications, including the exploitation of host microbes and processes to improve industrial-scale production of value-added compounds from CO2, and the promotion of gas fermentation technology. The team is also strengthening R&D synergies with other teams and industrial partners in the CO2 consortium, developing cutting-edge approaches for rapid and rational engineering of gas-fermenting hosts, and dissecting the thermodynamics and kinetics of processes for biological syngas valorization. So far, one patent application and one research article have resulted from this work, and the team anticipates additional significant outcomes from this project.
3-hydroxybutyrate↗
Application of Ocean Thermal Energy Conversion (OTEC) Systems for Powering Safety Monitoring Systems of Offshore Oil and Gas Operations. OESI 2.0 M-1 T-1-P1.1 – Objective 1 Interim Report: Summary of Offshore Oil and Gas Well Monitoring Systems and Process Power Requirements
This report is part of a comprehensive research initiative aimed at evaluating the technoeconomic feasibility of deploying greenhouse gas (GHG) emissions monitoring systems powered by small-scale renewable energy sources on the U.S. Outer Continental Shelf (OCS). The study has three primary objectives: summarizing available GHG monitoring systems for the OCS, modeling a renewable marine energy source (specifically ocean thermal energy conversion, or OTEC), and modeling the collocation of OTEC power sources with offshore oil and gas activities to offset power demand.
02 PETROLEUM↗
Ion-gated carbon molecular sieve gas separation membranes
Membrane technology lies at the heart of many industrial gas separation processes and applications. Molecular sieving membranes that break the Robeson limit are desirable for energy-efficient gas separation. In this paper, we report a facile strategy of directly integrating ionic liquids (ILs) into porous membranes. Particularly, the ILs form an ultra-thin layer on the carbon molecular sieve (CMS) membranes rather than penetrating into the pores, acting as a smart gate for gas entry to boost the selectivity. The hybrid membrane exhibits CO 2 permeability >600 barrer and enhanced CO 2 /N 2 selectivity >50, which surpasses the Robeson limit and shows potential in CO 2 /N 2 separation process. Molecular dynamics simulations confirm the gating effect of the IL layer of molecular thickness. In conclusion, this work demonstrates a universal strategy to improve CMS membrane performance by creating an IL-membrane interface and tuning the ion-pore interaction.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗