Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “levelized hydrogen cost”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 163 records · Page 9

Thin-Film Solar Cells on Metal Foil Substrates for Space Power

Photovoltaic arrays have played a key role in power generation in space. The current technology will continue to evolve but is limited in the important mass specific power metric (MSP or power/weight ratio) because it is based on bulk crystal technology. The objective of this research is to continue development of an innovative photovoltaic technology for satellite power sources that could provide up to an order of magnitude saving in both weight and cost, and is inherently radiation-tolerant through use of thin film technology and thin foil substrates such as 5-mil thick stainless steel foil or 1-mil thick Ti. Current single crystal technology for space power can cost more than $300 per watt at the array level and weigh more than 1 kg/sq m equivalent to specific power of approx. 65 W/kg. Thin film material such as CuIn(1-x),Ga(x)S2, (CIGS2), CuIn(1-x), G(x)Se(2-y),S(y), (CIGSS) or amorphous hydrogenated silicon (a-Si:H) may be able to reduce both the cost and mass per unit area by an order of magnitude. Manufacturing costs for solar arrays are an important consideration for total spacecraft budget. For a medium sized 5kW satellite, for example, the array manufacturing cost alone may exceed $2 million. Moving to thin film technology could reduce this expense to less than $500 K. Previous work at FSEC demonstrated the potential of achieving higher efficiencies from CIGSS thin film solar cells on 5-mil thick stainless steel foil as well as initial stages of facility augmentation for depositing thin film solar cells on larger (6"x 4") substrates. This paper presents further progress in processing on metal foil substrates. Also, previous work at DayStar demonstrated the feasibility of flexible-thin-film copper-indium-gallium-diselenide (CIGS) solar cells with a power-to-weight ratio in excess of 1000 W/kg. We will comment on progress on the critical issue of scale-up of the solar cell absorber deposition process. Several important technical issues need to be resolved to realize the benefits of lightweight technologies for solar arrays, such as: monolithic interconnects, lightweight array structures, and new ultra-light support and deployment mechanisms. Once the technology has gained spaceflight certification it should find rapid acceptance in specific satellite markets.

Raffaelle, Ryne P.↗

Large Scale Testing of a Foam/Multilayer Insulation Thermal Control System (TCS) for Cryogenic Upper Stages

The development of high energy cryogenic upper stages is essential for the efficient delivery of large payloads to various destinations envisioned in future programs. A key element in such upper stages is cryogenic fluid management (CFM) advanced development/technology. Due to the cost of and limited opportunities for orbital experiments, ground testing must be employed to the fullest extent possible. Therefore, a system level test bed termed the Multipurpose Hydrogen Test Bed (MHTB), which is representative in size and shape (3 meter diameter by 3 meter long with a volume of 18 cubic meters) of a fully integrated space transportation vehicle liquid hydrogen propellant tank has been established. To date, upper stage studies have often baselined the foam/multilayer insulation (FMLI) combination concept; however, hardware experience with the concept is minimal and was therefore selected for the MHTB. The foam element (isofoam SS-1 171 with an average thickness of 3.5 centimeters) is designed to protect against ground hold/ascent flight environments, and allows for the use of a dry nitrogen purge as opposed to the more complex/heavy helium purge subsystem normally required with MLI in cryogenic applications. The MLI (45 layers of Double Aluminized Mylar with Dacron spacers) provides protection in the vacuum environment of space and is designed for an on-orbit storage period of 45 days. Several unique features were incorporated in the MLI concept and included: variable density MLI (reduces weight and radiation losses by changing the layer density), larger but fewer DAM perforations for venting during ascent to orbit (reduces radiation losses), and roll wrap installation of the MLI with a commercially established process to lower assembly man-hours and reduce seam heat leak. Thermal performance testing of the MHTB TCS was conducted during three test series conducted between September 1995 and May 1996. Results for the ground hold portion of the tests were as expected producing an average heat leak of 63 WattS/M2 at an average foam surface temperature of 170 K. The results of the simulated orbit hold test interval produced heat leaks ranging from 0.085 to 0.22 Watts/squareM at warm boundary temperatures of 164K and 305K, respectively. When compared to the performance for a traditional MLI system, a 60% reduction in orbital heat leak or boiloff was measured. Overall, the MHTB TCS demonstrated satisfactory performance for all mission phases required of a cryogenic upper stage.

Hastings, Leon↗

Detailed Simulation Datasets Quantifying U.S. DOE VTO/HFTO R&D Benefits Across Light- to Heavy-Duty Vehicles

For more than 20 years, Argonne National Laboratory’s Vehicle & Mobility Systems Department has assessed how R&D investments by the U.S. Department of Energy’s Transportation Technologies Office and Alternative Fuels and Feedstocks Office affect vehicle energy use and cost. The analyses are performed using Autonomie, Argonne’s full-vehicle simulation tool for energy consumption, performance, and cost. The study covers five time frames ranging from present day through 2050, with more than 30 vehicle classes and applications (10 light duty and >20 medium and heavy duty), as well as six powertrain configurations (conventional, start-stop, hybrid electric vehicle, plug-in hybrid electric vehicle, battery-electric vehicle, and fuel cell electric vehicle) and five fuels (gasoline, diesel, natural gas, hydrogen, and electricity). Low and high technology uncertainty scenarios have been considered to capture a realistic range of outcomes. The resulting datasets include the assumptions used (i.e., efficiency, $/kWh), vehicle-level data (power, energy, weight, and cost), and outputs such as energy consumption, manufacturer’s suggested retail price, and total cost of ownership. These data are critical to stakeholders working in transportation, technology assessment, and long-term R&D planning.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Hydrogen Detection via a Low-Cost Prototype Fiber-Optic Sensing System

The developed low-cost prototype sensing system successfully detects hydrogen concentrations across a wide range, demonstrating immediate feasibility for commercial deployment. Utilizing fiber-optic technology, the system delivers stable, reproducible performance from parts-per-million levels up to 100% pure H2 environments. Environmental and chemical cross-sensitivity evaluations confirm robust selectivity against methane and temperature changes, establishing its readiness for near-term commercialization.

fiber-optic H2 sensor↗

Integrated Systems-to-Atoms (S2A) Framework for Designing Resilient and Efficient Hydrogen Infrastructure Solutions

The success of a future clean hydrogen infrastructure will depend on technology performance, operating conditions, and system configuration, which will be integrated to meet specific end-use requirements. We introduce a Systems-to-Atoms framework to cosimulate material, device, and system design for clean hydrogen storage and transport. Here we present a demonstration scenario in which hydrogen is distributed using a liquid organic hydrogen carrier to 700 bar refueling stations. Cross-scale analysis on hydrogen release at the refueling station reveals that while a high reaction pressure (up to 100 bar) may not enhance the catalyst performance, it can lead to system-level cost savings (up to 5% of total refueling station cost) due to savings in downstream gas compression. Further, a typically low-performing dehydrogenation catalyst material (e.g., copper) may be preferred over a high-performing catalyst (e.g., palladium) at different operating conditions when considering overall system affordability and supply chain resilience.

08 HYDROGEN↗

An Analysis of the Potential and Cost of the U.S. Refinery Sector Decarbonization

In 2019, U.S. petroleum refineries emitted 196 million metric tons (MT) of CO 2 , while the well-to-gate and the full life cycle CO 2 emissions were significantly higher, reaching 419 and 2843 million MT of CO 2 , respectively. This analysis examines decarbonization opportunities for U.S. refineries and the cost to achieve both refinery level and complete life-cycle CO 2 emission reductions. Here, we used 2019 life-cycle CO 2 emissions from U.S. refineries as a baseline and identified three categories of decarbonization opportunity: (1) switching refinery energy inputs from fossil to renewable sources (e.g., switch hydrogen source); (2) carbon capture and storage of CO 2 from various refining units; and (3) changing the feedstock from petroleum crude to biocrude using various blending levels. While all three options can reduce CO 2 emissions from refineries, only the third can reduce emissions throughout the life cycle of refinery products, including the combustion of fuels (e.g., gasoline and diesel) during end use applications. A decarbonization approach that combines strategies 1, 2, and 3 can achieve negative life-cycle CO 2 emissions, with an average CO 2 avoidance cost of $\$113$ - $\$477$/MT CO 2 , or $\$54$ - $\$227$/bbl of processed crude; these costs are driven primarily by the high cost of biocrude feedstock.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Node-red Software Architecture For Soec System Control

The software workflows that have been developed are open-source and therefore can be accessed and utilized by researchers and students all around the world for free of cost. The software is flexible and easily modifiable to suit the needs for testing bench-scale to system-level setups, and is not limited to just hydrogen generation facilities. The web-interface of the code allows for easy remote access and management, which is especially useful for distributed systems. This is more challenging with traditional PLCs, which often require direct connections or specialized software, making remote troubleshooting more cumbersome. Additionally, since the underlying interface is open-source, with an active community contributing to its development, regular updates, new features, and a wealth of community support and shared solutions will keep improving the overall architecture without excessive fees for upgrades.

Shigrekar, Amey [Idaho National Laboratory (INL), ↗

Scale and Regionality of Nonelectric Markets for U.S. Nuclear Light Water Reactors

This study assesses existing and potential industries that could conceivably be directly coupled to existing nuclear reactors. The goal is to identify the scale, location, and accessibility of the candidate industrial-product markets, as well as process feedstocks that are available near the plants to establish new industries. For example, CO 2 as a feedstock can be combined with H 2 to produce formic acid (FA), transportation fuels, and lubricants. These new plants can be entirely supported with the heat and electricity provided by a nearby NPP. The potential demand for nonelectric industrial products was assessed by documenting current and possible growth of nonelectricity product markets considered. This assessment used DOE- and industry-supported tools, data, and projections to capture regional industrial market opportunities. Electricity-capacity markets that reward large and reliable generators, such as NPPs, were considered because the electricity market will likely continue to be an important revenue source to NPPs. The key is to balance the needs of energy customers so as to optimize revenue for the affiliated energy customers or partners. In most cases, flexible plant energy delivery and power generation for the grid will require either energy storage or a stock of intermediate products to sustain the industrial customers when the NPP dispatches electricity to the grid. A diverse mix of temperate regions with operating NPPs around the U.S.—representing a variety of operating markets, local generation mix, and seasonal climates—were chosen for this market study. Both current and future market opportunities for candidate industrial-product markets surrounding these NPPs were studied. Figure 2 illustrates the regions chosen for this study. The success of developing nonelectric industrial-product markets as alternative revenue-generating sources for LWRs depends, not only on demand from growing existing markets, such as petroleum refining and NH 3 production, but also on the development of new markets such as light-duty (LD) and heavy-duty (HD) hydrogen FCEVs, synfuels, chemical production, biofuels, metal refining, injection of hydrogen into NG pipelines for gas power-generating units, FA, polymers, and close-coupled industrial heat applications, all of which can significantly increase demand relative to current levels while decarbonizing energy sectors. This study also presents a sample analysis of the economics of hydrogen production in an area of Minnesota, considering the capital and operating costs of a hydrogen plant as well as the local market demand for hydrogen. It includes some assumptions on electricity-grid pricing, showing how hydrogen could be integrated with an NPP and be competitive with the incumbent hydrogen-production process, steam methane reforming (SMR). The objectives of this study include: Provide U.S. NPP operators a robust sampling of the market demand location, scale, and accessibility (including storage and transportation) of the wide variety of industrial-product choices that can be produced using nuclear thermal energy and electricity proximate to a subset of U.S. NPPs to inform the industry of the potential opportunity; show examples and trade-off analyses of how U.S. LWR operators can access these markets, including storage and transportation of industrial products to their intended markets; and present a general analysis example for one industrial product (hydrogen) in one region (Minnesota area), including production, storage, and transportation, to show how nuclear-hybrid integrated energy systems (IESs) could access local markets and improve the profitability of an NPP.

03 NATURAL GAS↗

Hydrogen Based Energy Storage System for Integration with Dispatchable Power Generator (Phase I Feasibility Study)

This project examined the feasibility of integrating hydrogen generation, storage, and use as a means to decarbonize campus activities while retaining the ability to utilize the existing natural gas fired combined heat and power system installed at the campus of the University of California @ Irvine. Analysis of specific potential sites for the integrated system identified a location adjacent to the existing central plant which resulted in minimization of interconnections. A strategy based on use of commercial electrolyzers and gas storage was identified. Primary technology advancements are required for the gas turbine to accommodate higher levels of hydrogen and the integrated controls. The project indicated challenges for adopting the proposed strategy with the present rates and constraints. The availability of a relatively low-cost biogas resource by the campus already decarbonizes the gas turbine to some extent. In the absence of this resource, procurement of electricity directly from large scale renewable operations could facilitate lower electricity costs. Additional solar resources on campus could also help in this regard. The gas turbine cannot be operated below 50% capacity due to air permit constraints. Using the otherwise curtailed gas turbine operation to generate hydrogen via electrolysis by consuming natural gas is not highly efficient and therefore leads to relatively high costs of electricity returned. Several scenarios demonstrate potential for effective decarbonization, yet most involve lower and lower capacity factor for the legacy gas turbine which is not a good use of the asset. A small gas turbine output with higher efficiency operation would help. As would ability to export electricity to the grid. Certainly current rate structures and operational scenarios are less attractive than other possible future structures which should be pushed for in the future.

03 NATURAL GAS↗

Energy Storage Analysis

This study presents a comprehensive techno-economic characterization of energy storage and exible low carbon power generation technologies that can shift energy across days, weeks, or months to balance daily, weekly, and seasonal disparities in supply and demand. Energy storage technologies evaluated here include pumped hydropower storage (PHS), adiabatic and diabatic compressed air energy storage (CAES), vanadium redox flow batteries (VRBs), pumped thermal energy storage (P-TES), and renewably produced hydrogen stored in either geologic formations or underground pipes with re-electrification via combustion turbines in combined cycles, stationary proton exchange membrane (PEM) fuel cells, or the novel use of PEM fuel cells designed for heavy-duty vehicles (HDVs) which are expected to have shorter lives but also lower capital costs. We also evaluate flexible low-carbon power generation systems, including ethanol combustion in gas turbines and natural gas combustion with carbon capture and sequestration (CCS). We estimate current costs with literature data, use learning rates to characterize future costs, and develop capacity factors calibrated to an 85% renewables grid to calculate the levelized cost of energy (LCOE) of each technology. Results illustrate that at the 12-hour storage duration, PHS and CAES have the lowest LCOE with current costs, and VRBs become competitive if future costs are achieved. At the 120-hour storage duration, hydrogen systems with geologic storage and natural gas with CCS achieve the lowest LCOE in both current and future capital cost scenarios. In particular, the new configuration of HDV-PEM fuel cells with hydrogen storage in geologic formations evaluated here could lower the LCOE by 22-27% compared to stationary fuel cell systems typically evaluated and might help enable very high (>80%) renewable energy electric power systems. P-TES and hydrogen stored in underground pipes are the least-cost options at the 120-hour storage duration rating that do not require some form of geologic storage. Sensitivity analysis and Monte Carlo analysis illustrate that the general trends seen in this study are valid for a wide range of capacity factors and future cost scenarios. The study also illustrates that coproducing and selling hydrogen to other markets could reduce the LCOE of hydrogen systems by up to 39%.

carbon capture and sequestration↗

Cost of Capturing CO 2 from Industrial Sources

This systems analysis by the National Energy Technology Laboratory's Strategic Systems Analysis and Engineering directorate) evaluates the cost and performance impacts of capturing CO 2 emissions from nine industrial sources (ammonia, ethylene oxide, and ethanol production, natural gas process, coal- and gas-to-liquids, refinery hydrogen production, iron and steel, and cement manufacturing). The industrial sectors examined are segregated according to the CO 2 purity level of the flue gas stream, prior to treatment. Certain sectors naturally produce a gas stream that is inherently high in CO 2 purity, and these sectors can achieve 99-100% removal. Other sectors produce a lower purity CO 2 flue gas stream and achieving 90-99% removal requires deeper levels of treatment, adding cost. In addition to the report that documents the analysis, a Carbon Capture Retrofit Database tool was also created that allows users to apply CO 2 capture to selected industries, to evaluate the cost of capture and compare across multiple plants, as well as across different industries. Users have the ability to change select input parameters (such as fuel price, capture rate, and financing assumptions) to evaluate the impact on industrial CO 2 capture economics.

20 FOSSIL-FUELED POWER PLANTS↗

A country-scale green energy-water-hydrogen nexus: Jordan as a case study

Many developing countries suffer from a shortage of clean energy-water production, causing significant dependency on imported fossil fuel to meet the local energy and freshwater demands. Furthermore, when planning a 100 % renewable energy system (RES) to match the energy demand on an hourly basis, the RES is usually oversized. Hence, unavoidable large amounts of excess energy would be generated during hours of high production, low demand, and fully charged energy storage systems (ESSs). Hence, using Jordan as a case study, this work proposes a novel integrated system of wind, solar photovoltaic (PV), and lithium-ion ESS to match 100 % of the country's energy demand while using the excess generated power to drive reverse osmosis water desalination plants to match the demand of freshwater as well. Furthermore, the remaining excess energy is used for producing green hydrogen. A techno-economic optimizer was developed to show that this concept is indeed feasible. Here, the model was used to scan Jordan for the fitting sites of the highest demand-supply matching and the lowest levelized cost of electricity (LCOE), simultaneously. Three different integration scenarios are presented, namely PV-ESS, wind-ESS, and hybrid PV-wind-ESS RESs. The hybrid system showed the best performance, especially compared to the wind-ESS RES, in terms of total installed capacity (33.37 GW), LCOE (0.0492 USD/kWh), specific water cost (0.3629 USD/m 3 ), and energy and water demand-supply fractions (99.47 and 96.16 %, respectively). Storing desalinated water in natural aquifers was found to be a favorable option to enhance the performance of the three systems, where stored water by the end of the year was sufficient to cover the freshwater requirements for several following years. Finally, the remaining excess energy is used to produce green hydrogen with an annual production of up to 1.37 million tons and a specific cost down to 1.08 USD/kg.

14 SOLAR ENERGY↗

Cooled Gas Turbine and Combined Cycle Analysis for H 2 -CH 4 Fuel Mixes (Up to 100% H 2 )

In this study, a cooled gas turbine analysis was conducted for varying levels of hydrogen (H 2 ) blends with the natural gas. The ultimate goal is to have a gas turbine design that can be used for all the fuel blends (including 100% H 2 ) without any changes to the system. The technological developments in the cooling system, gas turbine design and materials that will be required for H 2 combustion were identified and analyzed in this study to develop an advanced gas turbine design for H 2 fuels. The study includes a combined cycle performance analysis with the H 2 fuel blends using the advanced gas turbine design developed in this study. A techno-economic analysis was conducted for analyzing the impact of the H 2 fuels on the levelized cost of electricity and cost sensitivities to fuel price and capacity factor.

03 NATURAL GAS↗

NASA-UVA Light Aerospace Alloy and Structures Technology Program (LA2ST)

This report documents the progress achieved over the past 6 to 12 months on four graduate student projects conducted within the NASA-UVA Light Aerospace Alloy and Structures Technology Program. These studies were aimed specifically at light metallic alloy issues relevant to the High Speed Civil Transport. Research on Hydrogen-Enhanced Fracture of High-Strength Titanium Alloy Sheet refined successfully the high resolution R-curve method necessary to characterize initiation and growth fracture toughnesses. For solution treated and aged Low Cost Beta without hydrogen precharging, fracture is by ductile transgranular processes at 25 C, but standardized initiation toughnesses are somewhat low and crack extension is resolved at still lower K-levels. This fracture resistance is degraded substantially, by between 700 and 1000 wppm of dissolved hydrogen, and a fracture mode change is affected. The surface oxide on P-titanium alloys hinders hydrogen uptake and complicates the electrochemical introduction of low hydrogen concentrations that are critical to applications of these alloys. Ti-15-3 sheet was obtained for study during the next reporting period. Research on Mechanisms of deformation and Fracture in High-Strength Titanium Alloys is examining the microstructure and fatigue resistance of very thin sheet. Aging experiments on 0. 14 mm thick (0.0055 inch) foil show microstructural agility that may be used to enhance fatigue performance. Fatigue testing of Ti-15-3 sheet has begun. The effects of various thermo-mechanical processing regimens on mechanical properties will be examined and deformation modes identified. Research on the Effect of Texture and Precipitates on Mechanical Property Anisotropy of Al-Cu-Mg-X and Al-Cu alloys demonstrated that models predict a minor influence of stress-induced alignment of Phi, caused by the application of a tensile stress during aging, on the yield stress anisotropy of both modified AA2519 and a model Al-Cu binary alloy. This project is no longer included in the NASA-UVA LAST program. Research on the Creep Behavior and Microstructural stability of Al-Cu-Mg-Ag and Al-Cu-Li-Mg-Ag showed that the creep resistance of three candidate aluminum alloys (C415, C416 and ML377) was much superior compared to that of the current Concorde alloy, AA2618. Creep induced change in precipitates at grain boundaries was observed in the alloy which exhibits the highest creep strain of the three examined. The other two alloys developed no detectable microstructural changes at grain boundaries under the creep conditions tested.

Gangloff, Richard P.↗

Energy Consumption and Cost Reduction of Future Light-Duty Vehicles through Advanced Vehicle Technologies: A Modeling Simulation Study Through 2050

The U.S. Department of Energy’s (DOE’s) Vehicle Technologies Office (VTO) and Hydrogen and Fuel Cell Technologies Office (HFTO) aim to develop sustainable, affordable and efficient technologies for transportation of goods and people. Translating investments in advanced transportation component technologies and powertrains to estimate vehicle-level fuel savings potential is critical for understanding DOE’s impact. In this work, we simulated technologies funded by VTO and HFTO for light duty vehicles. The simulations were performed across: Multiple powertrain configurations (i.e., conventional, power-split, extended-range electric vehicle, battery electric drive, and fuel-cell vehicles), Vehicle classes (i.e., compact car, midsize car, small sport utility vehicle [SUV], midsize SUV, and pickup trucks); and Fuels (i.e., gasoline, diesel, hydrogen, and battery electricity). These various technologies are assessed for six different timeframes: laboratory years 2015, 2020, 2025, 2030, and 2045. A delay of 5 years is assumed between laboratory year and model year (year technology is introduced into production). Finally, uncertainties are included for both technology performance and cost aspects by considering two cases: Low case, aligned with DOE technology manager estimates of expected original equipment manufacturer (OEM) improvements based on regulations, business as usual; and High case, aligned with aggressive technology advancements based on R&D targets developed through support by VTO & HFTO. These scenarios are not intended as predictions of future performances. The energy and cost impact of different technologies were estimated using Autonomie (www.autonomie.net), Argonne vehicle system simulation tool. Autonomie is a state-of-the-art vehicle system simulation tool used to assess the energy consumption, performance and cost of multiple advanced vehicle technologies across classes (from light to heavy duty), powertrains (from conventional to HEVs, FCEVs, PHEVs and BEVs), components and control strategies. Autonomie is packaged with a complete set of vehicle models for a wide range of vehicle classes, powertrain configurations and component technologies, including vehicle level and component level controls. These controls were developed and calibrated using dynamometer test data. Autonomie has been used to support a wide range of studies including analyzing various component technologies, sizing powertrains components for different vehicle requirements, comparing the benefits of powertrain configurations, optimizing both heuristic and route based vehicle energy control and predicting transportation energy use when paired with a traffic modeling tool such as POLARIS. This report documents the assumptions and estimates the vehicle-level energy consumption benefits and associated technology costs for the various types of light duty vehicles. All details of vehicle assumptions and simulation results are available in the spreadsheets accompanying this report.

33 ADVANCED PROPULSION SYSTEMS↗

A Low Cost, Self Acting, Liquid Hydrogen Boil-Off Recovery System

The purpose of this research was to develop a prototype liquid hydrogen boll-off recovery system. Perform analyses to finalize recovery system cycle, design detail components, fabricate hardware, and conduct sub-component, component, and system level tests leading to the delivery of a prototype system. The design point and off-design analyses identified cycle improvements to increase the robustness of the system by adding a by-pass heat exchanger. Based on the design, analysis, and testing conducted, the recovery system will liquefy 31% of the gaseous boil off from a liquid hydrogen storage tank. All components, including a high speed, miniature turbocompressor, were designed and manufacturing drawings were created. All hardware was fabricated and tests were conducted in air, helium, and hydrogen. Testing validated the design, except for the turbocompressor. A rotor-to-stator clearance issue was discovered as a result of a concentricity tolerance stack-up.

Pelfrey, Joy W.↗

Hydrogen Carriers for Renewable Microgrid System Applications

Utility-scale energy storage can help improve grid reliability, reduce costs, and promote faster adoption of intermittent sources such as solar and wind. This paper analyzes the technical aspects and economics of standalone microgrids operating on intermittent power combined with hydrogen energy storage. It explores the feasibility of using dibenzyltoluene (DBT) as a liquid organic hydrogen carrier to absorb excess energy during periods of high supply and polymer electrolyte fuel cells to generate electrical energy during periods of low supply. A comparative analysis is conducted on three power demand scenarios (industrial, residential, and office), in conjunction with three alternative energy sources: solar, wind and wind–solar mix. A mixed system of solar and wind energy can maintain an annual average efficiency above 70%, except for residential power demand, which lowered the efficiency to 67%. A balanced combination of wind and solar power was the most cost-effective option. The current levelized cost of electricity (LCOE) for industrial power demand was estimated to 15 ¢/kWh, and it is projected to decrease to 9 ¢/kWh in the future. For residential power demand, the LCOE was 45% higher due to the demand profile. In comparison, battery storage is significantly more expensive than hydrogen storage, even with future cost projections, increasing the LCOE between 60 and 120 ¢/kWh.

PEM electrolysis↗

Nuclear–Electronic Orbital General Rate Theory: Predicting Hydrogen Kinetic Isotope Effects in the Deep Tunneling Regime

Hydrogen transfer is a critical component of many chemical and biological processes. The ratio of rate constants for hydrogen and deuterium transfer defines the H/D kinetic isotope effect (KIE), which is a powerful tool for elucidating hydrogen transfer mechanisms. Interpretation of experimental H/D KIEs relies on accurate and affordable computational methods. However, due to their light mass, hydrogen and deuterium can undergo tunneling, which is challenging to describe in multidimensional molecular systems. Herein, we introduce the nuclear–electronic orbital general rate theory (NEO-GRT), which enables the efficient prediction of H/D KIEs based on full-dimensional molecular quantum chemistry calculations. The NEO-GRT approach describes the hydrogen transfer rate constant with a general expression that spans the vibrationally adiabatic and nonadiabatic hydrogen tunneling regimes. The input quantities are computed using NEO density functional theory, which treats the transferring hydrogen or deuterium nucleus quantum mechanically on the same level as the electrons. We investigate two intramolecular proton transfer reactions in organic molecules at temperatures down to 50 K to evaluate the performance of NEO-GRT by comparison to transition state theory and ring-polymer instanton theory. The KIEs computed with NEO-GRT agree with those calculated using ring-polymer instanton theory for the full-dimensional molecular systems at the same level of electronic structure theory. This agreement indicates that NEO-GRT captures the deep hydrogen tunneling effects, in contrast to transition state theory, which neglects such effects. Given its relatively low computational cost, NEO-GRT is a promising approach for predicting H/D KIEs in large organic and organometallic systems.

Hydrogen↗