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At least 1,189 records · Page 66

Multimodel Analysis of Future Land Use and Climate Change Impacts on Ecosystem Functioning

Land use and climate changes both affect terrestrial ecosystems. Here, we used three combinations of Shared Socioeconomic Pathways and Representative Concentration Pathways (SSP1xRCP26, SSP3xRCP60, and SSP5xRCP85) as input to three dynamic global vegetation models to assess the impacts and associated uncertainty on several ecosystem functions: terrestrial carbon storage and fluxes, evapotranspiration, surface albedo, and runoff. We also performed sensitivity simulations in which we kept either land use or climate (including atmospheric CO2) constant from year 2015 on to calculate the isolated land use versus climate effects. By the 2080–2099 period, carbon storage increases by up to 87 ± 47 Gt (SSP1xRCP26) compared to present day, with large spatial variance across scenarios and models. Most of the carbon uptake is attributed to drivers beyond future land use and climate change, particularly the lagged effects of historic environmental changes. Future climate change typically increases carbon stocks in vegetation but not soils, while future land use change causes carbon losses, even for net agricultural abandonment (SSP1xRCP26). Evapotranspiration changes are highly variable across scenarios, and models do not agree on the magnitude or even sign of change of the individual effects. A calculated decrease in January and July surface albedo (up to −0.021 ± 0.007 and −0.004 ± 0.004 for SSP5xRCP85) and increase in runoff (+67 ± 6 mm/year) is largely driven by climate change. Overall, our results show that future land use and climate change will both have substantial impacts on ecosystem functioning. However, future changes can often not be fully explained by these two drivers and legacy effects have to be considered.

land use change↗

Impact of Oxygen Storage Components in Prototype Pd-Based Three-Way Catalysts under Exhaust Conditions Relevant to Propane Engines

With increasing concerns about global warming, the push for sustainable and eco-friendly fuels is accelerating. Propane, recognized as liquefied petroleum gas or LPG, has garnered research interest as an alternative fuel due to its notable advantages, including a high-octane rating, reduced greenhouse gas emissions, and potential cost-effectiveness. However, to realize its full potential as an alternative fuel it is essential to develop catalysts that efficiently handle emissions at low temperatures. In our research, we investigated three distinct palladium (Pd)-based three-way catalyst (TWC) formulations (PdRh, Pd-only, and Pd-OSC) to investigate the influence of typical TWC components rhodium (Rh) and oxygen storage components (OSC) in exhaust scenarios relevant to propane-fueled engines. Among these, the formulation containing oxygen storage components (Pd-OSC) showed the highest reactivity for both NO and C 3 H 8 while minimizing performance degradation from hydrothermal aging (HTA). Notably, the temperature of 50% conversion (T50) for propane in the Pd-OSC fresh and HTA sample was lower by 30 °C and 13 °C, respectively, compared to the Pd-only sample, highlighting the role of oxygen storage materials in enhancing catalyst performance, even without dithering. Additionally, N 2 physisorption showed that the PdOSC sample has a higher surface area and increased pore volume. This underscores the idea that OSC materials not only augment the catalyst’s porosity but also optimize reactant accessibility to active sites, thus elevating catalytic efficiency. In addition to evaluating performance, we further explored the performance and characteristics of the catalysts using catalytic probe reactions, such as water–gas shift and steam reforming reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Potential Lunar In-Situ Resource Utilization Experiments and Mission Scenarios

The extraction and use of resources on the Moon, known as In-Situ Resource Utilization (ISRU), can potentially reduce the cost and risk of human lunar exploration while also increasing science achieved. By not having to bring all of the shielding and mission consumables from Earth and being able to make products on the Moon, missions may require less mass to accomplish the same objectives, carry more science equipment, go to more sites of exploration, and/or provide options to recover from failures not possible with delivery of spares and consumables from Earth alone. The concept of lunar ISRU has been considered and studied for decades, and scientists and engineers were theorizing and even testing concepts for how to extract oxygen from lunar soil even before the Apollo 11 mission to the Moon. There are four main areas where ISRU can significantly impact how human missions to the Moon will be performed: mission consumable production, civil engineering and construction, energy production, storage, and transfer, and manufacturing and repair. The area that has the greatest impact on mission mass, hardware design and selection, and mission architecture is mission consumable production, in particular, the ability to make propellants, life support consumables, and fuel cell reagents. Mission consumable production allows for refueling and reuse of spacecraft, increasing power production and storage, and increased capabilities and failure tolerance for crew life support. The other three areas allow for decreased mission risk due to radiation and plume damage, alternative power systems, and failure recover capabilities while also enabling infrastructure growth over Earth delivered assets. However, while lunar ISRU has significant potential for mass, cost, and risk reduction for human lunar missions, it has never been demonstrated before in space. To demonstrate that ISRU can meet mission needs and to increase confidence in incorporating ISRU capabilities into mission architectures, terrestrial laboratory and analog field testing along with robotic precursor missions are required. A stepwise approach with international collaboration is recommended. The first step is to understand the resources available through orbital and surface exploration missions. Resources of particular interest are hydrogen, hydroxyl, water, and other polar volatile resources recently measured by Chandrayaan, Lunar Reconnaissance Orbiter (LRO), and the Lunar Crater Observation and Sensing Satellite (LCROSS). The second step is to demonstrate critical aspects of ISRU systems to prove ISRU is feasible under lunar environmental and resource conditions (ex. subscale oxygen extraction from regolith). The third step is to perform integrated missions with ISRU and other connected systems, such as power, consumable storage, surface mobility, and life support at a relevant mission scale to demonstrate ISRU capabilities as well as the critical interfaces with other exploration systems. If possible, the mission should demonstrate the use of ISRU products (ex. in a rocket engine or fuel cell). This dress rehearsal mission would be the final step before full implementation of ISRU into human missions, and may be performed during human lunar exploration activities. This stepwise approach is the most conservative approach, and may only be possible with international cooperation due to the limited number of robotic missions each nation/space agency can perform within their budget.

Sanders, Gerald B.↗

Performance of a Novel In-Situ Converted Additive for High Voltage Li-ion Pouch Cells

In search for new classes of additives for high voltage NMC/graphite lithium-ion cells, the precursor additive bis(trimethylsilyl) malonate (bTMSM) is shown to be activated via a spontaneous reaction with LiPF 6 and LiBF 4 salts in carbonate-based electrolyte to form lithium tetrafluoro(malonato)phosphate (LiTFMP), and lithium difluoro(malonato)borate (LiDFMB), respectively. The reaction schemes and rates were studied via NMR spectroscopy and GCMS. The effects of LiTFMP and LiDFMB on high voltage electrochemical performance were then examined up to 4.5 V in Li[Ni 0.4 Mn 0.4 Co 0.16 ]O 2 (NMC442)/graphite and Li[Ni 0.6 Mn 0.4 Co 0.0 ]O 2 (NMC/640)/graphite pouch cells using aggressive voltage-hold cycling, long-term charge/discharge cycling, storage experiments, electrochemical impedance spectroscopy, and gas evolution measurements. While in situ converted additives suffer from gassing issues due to the presence of trimethylfluorosilane (TMSF) gas, a side product of the in situ reaction of bTMSM with LiPF 6 , the cycling and storage capability for the activated additives under study shows competitive performance and controlled impedance when compared to other well-known high voltage additives. Micro X-ray fluorescence spectroscopy (μXRF) confirmed that LiTFMP successfully minimizes the rate of transition metal deposition on the surface of graphite apparently by forming a protective agent at the cathode surface, hence allowing for improved cycling performance at high voltages.

25 ENERGY STORAGE↗

Constructing stable interface layer for boosting high-voltage cycling performance of single-crystal Ni-rich cathodes

Increasing demand for electric vehicles (EVs) worldwide and the requirements for environmental protection have greatly promoted the development of low-Co, Ni-rich layered cathodes due to their high energy density, reasonable cost, and less environmental pollution. Nevertheless, serious performance degradation and safety concerns resulting from structural/interfacial instability under high operating voltages (≥4.3 V) have greatly hindered its commercialization. Herein, we propose a feasible surface modification strategy by introducing a multifunctional Li 2 SiO 3 (LSO) coating layer onto the surface of Co less single-crystalline LiNi 0.63 Co 0.07 Mn 0.3 O 2 (NCM) to solve the above challenges. Additionally, the uniform Li 2 SiO 3 coating layer has a unique three-dimensional (3D) ion diffusion channel, which greatly promotes the transmission of Li + and alleviates interfacial stress accumulation. Equally important, the electrochemically inert Li 2 SiO 3 coating layer has a stable structure framework with strong Si-O bonds, which inhibit anisotropic particle volume expansion and the occurrence of side reactions during long-term cycling. As a consequence, LSO modified NCM exhibits greatly improved electrochemical properties even at harsh testing conditions and achieves capacity retention of 79.1% after 200 cycles at 25°C within 2.95-4.5 V in half cells. Furthermore, it provides an outstanding capacity retention of 94.7% after 300 cycles at 25°C within 2.95-4.4 V when tested in pouch full cells.

25 ENERGY STORAGE↗

Dynamic spatial progression of isolated lithium during battery operations

The increasing demand for next-generation energy storage systems necessitates the development of high-performance lithium batteries. Unfortunately, current Li anodes exhibit rapid capacity decay and a short cycle life, owing to the continuous generation of solid electrolyte interface and isolated Li (i-Li). The formation of i-Li during the nonuniform dissolution of Li dendrites leads to a substantial capacity loss in lithium batteries under most testing conditions. Because i-Li loses electrical connection with the current collector, it has been considered electrochemically inactive or ‘dead’ in batteries. In this work, contradicting this commonly accepted presumption, we show that i-Li is highly responsive to battery operations, owing to its dynamic polarization to the electric field in the electrolyte. Simultaneous Li deposition and dissolution occurs on two ends of the i-Li, leading to its spatial progression toward the cathode (anode) during charge (discharge). Revealed by our simulation results, the progression rate of i-Li is mainly affected by its length, orientation and the applied current density. Moreover, we successfully demonstrate the recovery of i-Li in Cu–Li cells with >100% Coulombic efficiency and realize LiNi 0.5 Mn 0.3 Co 0.2 O 2 (NMC)–Li full cells with extended cycle life.

25 ENERGY STORAGE↗

Feasibility study for a Cryogenic On-Orbit Liquid Depot-Storage, Acquisition and Transfer (COLD-SAT) satellite

This feasibility study presents the conceptual design of a spacecraft for performing a series of cryogenic fluid management flight experiments. This spacecraft, the Cryogenic On-Orbit Liquid Depot-Storage, Acquisition, and Transfer (COLD-SAT) satellite, will use liquid hydrogen as the test fluid, be launched on a Delta expendable launch vehicle, and conduct a series of experiments over a two to three month period. These experiments will investigate the physics of subcritical cryogens in the low gravity space environment to characterize their behavior and to correlate the data with analytical and numerical models of in-space cryogenic fluid management systems. Primary technologies addressed by COLD-SAT are: (1) pressure control; (2) chilldown; (3) no-vent fill; (4) liquid acquisition device fill; (5) pressurization; (6) low-g fill and drain; (7) liquid acquisition device expulsion; (8) line chilldown; (9) thermodynamic state control; and (10) fluid dumping.

Rybak, S. C.↗

Techno-Economic and Deployment Analysis of Fossil Fuel-Based Power Generation with Integrated Energy Storage

Most existing coal-fired power plants were designed for sustained operation at full load to maximize efficiency, reliability, and revenues. Depending on plant type and design, these plants can adjust output within a fixed range in response to plant or market conditions. The need for flexibility driven by increased penetration of variable and non-dispatchable power generation such as wind and solar is shifting traditional mission profile of thermoelectric power plants in three ways: more frequent shutdowns when market or grid conditions warrant, more aggressive load ramp rates (rate of output change), and lower minimum sustainable load, which provides a wider operating range and helps avoid costly plant shutdowns. The recent studies have shown that flexibility of a coal-fired power plant can be improved by the energy storage. The objective of this project was to analyze a set of energy storage options (technologies) and determine their impact on flexibility and economics of a representative coal-fired power plant. The effect of five Energy Storage Systems (ESSs) integrated with a coal power plant on plant flexibility and economics was investigated in this study. The results obtained in this project and presented in this report showed that ESS integrated with a thermal power plant improves plant flexibility and participation in the Energy and Ancillary Services markets and also improves plant financial performance.

20 FOSSIL-FUELED POWER PLANTS↗

Resilience and economics of microgrids with PV, battery storage, and networked diesel generators

Current designs and assessments of microgrids have ignored component reliability, leading to significant errors in predicting a microgrid’s performance while islanded. Existing life cycle cost studies on hybrid microgrids—which combine photovoltaics (PV), battery storage and networked emergency diesel generators—also have not identified all the potential economic opportunities. Reducing the number of emergency diesel generators through reliance on PV and battery, retail bill savings, and demand response and wholesale market revenue streams are all important. This paper provides a new statistical methodology that calculates the impact of distributed energy reliability and variability on a microgrid’s performance and a novel use of the optimization platform REopt to explore multiple cost savings and revenue streams. We examine the impacts for microgrids in California, Maryland, and New Mexico and show that a hybrid microgrid is a more resilient and cost-effective solution than a diesel-only system. Under realistic conditions, a hybrid microgrid can provide higher system reliability when islanded and have a lower life cycle cost under multiple market conditions than a traditional diesel generator-based system. The improved performance of the hybrid system is resilient to conditions experienced over the last 20 years in solar irradiance and sees little degradation in performance immediately after a hurricane. The cost savings to provide this more resilient backup power system as compared to a diesel-only microgrid are significant. The net present cost for a hybrid microgrid is 19% lower in New Mexico and 35% lower in Maryland than a diesel-only microgrid. In California, the net present cost of the hybrid microgrid is negative because, unlike a diesel-only microgrid, a hybrid microgrid has lower life cycle costs than the power costs without a microgrid.

25 ENERGY STORAGE↗

Mechanochemical synthesis of pillar[5]quinone derived multi-microporous organic polymers for radioactive organic iodide capture and storage

The incorporation of supramolecular macrocycles into porous organic polymers may endow the material with enhanced uptake of specific guests through host–guest interactions. Here we report a solvent and catalyst-free mechanochemical synthesis of pillar[5]quinone (P5Q) derived multi-microporous organic polymers with hydrophenazine linkages (MHP-P5Q), which show a unique 3-step N 2 adsorption isotherm. In comparison with analogous microporous hydrophenazine-linked organic polymers (MHPs) obtained using simple twofold benzoquinones, MHP-P5Q is demonstrated to have a superior performance in radioactive iodomethane (CH 3 I) capture and storage. Mechanistic studies show that the rigid pillar[5]arene cavity has additional binding sites though host–guest interactions as well as the halogen bond (-I···N = C-) and chemical adsorption in the multi-microporous MHP-P5Q mainly account for the rapid and high-capacity adsorption and long-term storage of CH 3 I.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A GPU-based compressible combustion solver for applications exhibiting disparate space and time scales

High-speed chemically active flows pose significant computational challenges due to their disparate space and time scales, with stiff chemistry often dominating simulation time. While modern scientific computing programs achieve exascale performance by leveraging graphics processing units (GPUs), existing GPU-based compressible combustion solvers face critical limitations in memory management, load balancing, and handling the highly localized nature of chemical reactions. To this end, we present a high-performance compressible reacting flow solver built on the AMReX framework and optimized for multi-GPU settings. Here, our approach addresses three GPU performance bottlenecks: memory access patterns through column-major storage optimization, computational workload variability via a bulk-sparse integration strategy for chemical kinetics, and multi-GPU load distribution for adaptive mesh refinement applications. The solver adapts existing matrix-based chemical kinetics formulations to multi-grid contexts. Using representative combustion applications, including 2D and 3D detonations and a 3D jet-in-crossflow configuration, we demonstrate 1.4–5× performance improvements over initial implementations on an in-house cluster of NVIDIA H100 GPUs, and near-ideal weak scaling on the Frontier supercomputer (Oak Ridge Leadership Computing Facility) with up to 1024 AMD Instinct MI250X GPUs. Roofline analysis reveals substantial improvements in arithmetic intensity for both convection (∼ 10 ×) and chemistry (∼ 4 ×) routines, confirming efficient utilization of GPU memory bandwidth and computational resources.

42 ENGINEERING↗

Assessing reservoir performance for geologic carbon sequestration in offshore saline reservoirs

Carbon capture and storage (CCS) is a technological strategy to reduce CO 2 emissions from hydrocarbon-based energy production and non-energy industrial emitters, like fertilizer and cement production. To expand the geographic opportunities for CCS, offshore geologic settings are increasingly considered for saline CO 2 storage, particularly where legacy oil and gas infrastructure may be repurposed for CO 2 transport and injection. In this context, the Gulf of Mexico (GoM), United States (U.S.), may offer tremendous opportunity for CCS because the surrounding states are among the largest CO 2 producers in the U.S. and there has been extensive oil and gas development over the last half century. Nevertheless, there remains significant uncertainty in how GoM reservoir/seal systems will respond to industrial-scale CO 2 injections, particularly in the context of meso-scale (1–10s of meters) permeability variations that are difficult to identify prior to injection. Such permeability variations can have significant impacts on CO 2 migration and fluid pressure propagation, both of which govern the overall effectiveness of the CCS project. This research uses ensemble simulation methods to quantify the influence of spatially variable and a priori unknown permeability fields on CO 2 plume development and fluid pressure propagation when CO 2 is injected at 1 MMt per year for ten years. Results show a number of characteristic patterns that reveal the substantial influence of both near- and far-field permeability on reservoir performance. By focusing on basin characteristics that are common among offshore basins worldwide, results from this study suggest that offshore CCS may be a feasible carbon management strategy in regions where offshore basins are proximal to industrial CO 2 sources.

42 ENGINEERING↗

Effect of Electrode/Electrolyte Coupling on Birnessite (δ-MnO 2 ) Mechanical Response and Degradation

Understanding the deformation of energy storage electrodes at a local scale and its correlation to electrochemical performance is crucial for designing effective electrode architectures. In this work, the effect of electrolyte cation and electrode morphology on birnessite (δ-MnO 2 ) deformation during charge storage in aqueous electrolytes was investigated using a mechanical cyclic voltammetry approach via operando atomic force microscopy (AFM) and molecular dynamics (MD) simulation. In both K 2 SO 4 and Li 2 SO 4 electrolytes, the δ-MnO 2 host electrode underwent expansion during cation intercalation, but with different potential dependencies. When intercalating Li + , the δ-MnO 2 electrode presents a nonlinear correlation between electrode deformation and electrode height, which is morphologically dependent. Further, these results suggest that the stronger cation–birnessite interaction is the reason for higher local stress heterogeneity when cycling in Li 2 SO 4 electrolyte, which might be the origin of the pronounced electrode degradation in this electrolyte.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Reactive transport modeling of the Aquifer Thermal Energy Storage (ATES) system at Stockton University, New Jersey during seasonal operations

Hydrogeochemical processes associated with Aquifer Thermal Energy Storage (ATES) operations can often impact the system performance owing to mineral precipitation either at the wellbore or in the aquifer owing to changes in temperature and fluid disequilibria. Although failure of ATES systems due to mineral precipitation ("fouling") is common, predictive reactive-transport models have rarely been applied to plan their design and operation. Here, the objective of this study is to develop a reactive-transport model by coupling thermal, hydrological, and chemical (THC) processes to evaluate effects of introduced atmospheric oxygen on water chemistry, mineral precipitation/dissolution, porosity, and permeability changes associated with an ATES system at Stockton University (New Jersey, USA). The THC model builds on a Thermal-Hydrological-Mechanical (THM) model of the site that evaluated system failure owing to possible fracturing in the caprock or around the wellbore. The causes of the system failure are not known – potential causes include hydraulic fracturing owing to elevated pump pressures that took place, a flow pathway created by one of the boreholes, or a pre-existing natural hydrologic connection between the upper unconfined aquifer and the ATES aquifer, any of which could have led to oxygenated water entering the reservoir and causing the observed Fe-oxide fouling on well screens. The THC model is used to evaluate some of the hypotheses and observations regarding system failure owing to geochemical processes. The reactive-transport code TOUGHREACT V4 was used to model the THC processes during seasonal heating and cooling operations at the Stockton ATES site over 6 years of operation. In the THC simulations, the primary effects on geochemistry were observed when the injection water is saturated with atmospheric oxygen. Simulations show greater precipitation of goethite near the cold wells as compared to the warm wells. Although volume fractions of Fe-hydroxides were relatively small, the model was aimed at processes in the aquifer at the scale of meters and larger rather than at the scale of mm or cm (i.e., a well screen). Kaolinite is the dominant precipitating phase, also around the cold wells. Illite dissolves near the cold wells and precipitates near the warm wells. There is a net decrease in the porosity near the cold wells and increase near the warm wells, although a slight amount of thermal contraction near the cold wells and expansion near the warm wells is responsible for a significant proportion of the porosity change. Owing to the coarse discretization of the numerical grid near the wells (compared to the screen thickness) the magnitude of permeability changes at the wellbore are likely underestimated. The reactive transport model in this study can be used for characterization of aquifers, optimizing the operational parameters (temperature, pressure, pH etc.), and planning of mitigation strategies for ATES systems.

15 GEOTHERMAL ENERGY↗

Developing a roadmap for carbon capture, and storage in Oklahoma by assessing the viability of stacked storage

Abstract The Intergovernmental Panel on Climate Change concludes that CO 2 capture and storage (CCS) is critical for climate‐stabilizing energy transitions. In CCS, captured CO 2 is sequestered in saline aquifers within sedimentary basins. The CO 2 storage capacity and the rate of injection are functions of the geology of the saline aquifer, which is uncertain. To minimize impacts of this uncertainty, CCS projects could include backup plans, such as co‐locating geologic CO 2 storage (GCS) sites with or near existing CO 2 ‐enhanced oil recovery (CO 2 ‐EOR) operations. These “stacked storage” projects could hedge against uncertainty in the saline formation performance because captured CO 2 could be injected into either location in the event of unexpected events (e.g., the injectivity decreases). Here, we investigate the possibility and ramifications of developing CCS networks in Oklahoma that are amendable to stacked storage. We find that stacked storage is possible in Oklahoma but the counties with the lowest‐cost saline storage resources do not have existing CO 2 ‐EOR operations. At the systems level, we find it is slightly more expensive (e.g., $1/tCO 2 to $5/tCO 2 ) to site GCS in counties with CO 2 ‐EOR projects. This increased expense is largely due to increased CO 2 transportation costs because hundreds of km of additional pipeline is required to capture CO 2 from the lowest‐cost sources. Overall, our results suggest that it is optimal to build more pipelines and avoid injecting CO 2 in some of the lowest‐cost saline storage resources, to enable capturing CO 2 from the least‐cost sources. © 2023 Society of Chemical Industry and John Wiley & Sons, Ltd.

42 ENGINEERING↗

Enabling fast discharge of Li-ion batteries via electrolyte formulations for urban air mobility applications

High-power discharge requirements are critical for lithium-ion batteries (LIBs) used in electric Vertical Takeoff and Landing (eVTOL) vehicles that are increasingly considered in urban mobility. This investigation places a particular emphasis on understanding the impact of electrolytes on discharge processes and rate capability. We aim to compare the discharge behavior of LiBs using a conventional electrolyte (Gen 2: 1.2 M LiPF 6 in EC:EMC) and the dual salt LiTFSI-LiBOB-based electrolyte. Here we carefully examine the profiles of charging and discharging, the behavior during extended cycles, impedance spectroscopy results, and the characteristics of the electrode surface. Our research findings demonstrate the complex relationship between the composition of electrolytes and the specific high-power discharge requirements of electric vertical takeoff and landing (eVTOL) systems. This research highlights the importance of customizing electrolyte compositions to optimize energy storage density while simultaneously enabling higher power extraction to enhance performance in short-range electric aviation.

25 ENERGY STORAGE↗

Hydrogen Storage for Aircraft Applications Overview

Advances in fuel cell technology have brought about their consideration as sources of power for aircraft. This power can be utilized to run aircraft systems or even provide propulsion power. One of the key obstacles to utilizing fuel cells on aircraft is the storage of hydrogen. An overview of the potential methods of hydrogen storage was compiled. This overview identifies various methods of hydrogen storage and points out their advantages and disadvantages relative to aircraft applications. Minimizing weight and volume are the key aspects to storing hydrogen within an aircraft. An analysis was performed to show how changes in certain parameters of a given storage system affect its mass and volume.

Colozza, Anthony J.↗