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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Numerical Study of Liquid Piston Compression Using Large-Eddy Simulation and Volume-of-Fluid Approach

Efforts to increase the efficiency of residential and commercial air conditioners and heat pumps have demonstrated that the compressor accounts for most of the system’s electrical energy usage. Therefore, the efficiency of this component should be improved to reduce its energy usage. The US Department of Energy’s Oak Ridge National Laboratory developed a near-isothermal liquid piston compressor (LPC) that uses propylene glycol (PG) to compress CO2. This report presents numerical studies of the LPC in which the compression chamber fills with injected PG from the bottom inlet. Numerical simulations were performed using the large-eddy simulation (LES) with the wall-adapting local eddy-viscosity (WALE) subgrid-scale model coupled with the multiphase volume-of-fluid (VOF) model to simulate the transient interface between gas and liquid and to capture the heat and mass transfer within the compression chamber. In this effort, effects of boundary conditions applied to the LES-VOF calculations (e.g., no wall, an adiabatic wall, and a wall with a heat flux subscribed) to the overall pressure and temperature of CO2 gas as well as the transient evolution of flow and heat transfer evolution within the compression chamber are investigated and discussed. It was found that the LES calculation with no wall have shown no dynamical flow patterns and the volume-averaged temperature of CO2 increased from 305 to 392.7 K, while LES calculations with a constant wall temperature or a wall heat flux had similar increases of CO2 temperatures. Results of LES simulation using a wall heat flux showed different stages in the compression process and revealed dynamical formation and interaction of CO2 gas layers and circulation flow patterns within the chamber that contribute to the overall heat transfer between the solid wall, gas, and liquid surface in the compressor.

Nguyen, Thien D.↗
DOE OSTI2022

Bright, Modular, and Switchable Near-Infrared II Emission from Compact Tetrathiafulvalene-Based Diradicaloid Complexes

Near-infrared (NIR)-emitting molecules are promising candidates for biological sensing and imaging applications; however, many NIR dyes are large conjugated systems which frequently have issues with stability, solubility, and tunability. Here, we report a novel class of compact and tunable fluorescent diradicaloid complexes which are air-, water-, light-, and temperature-stable. These properties arise from a compressed pi manifold which promotes an intense ligand-centered π-π transition in the NIR II (1000-1700 nm) region and which subsequently emits at similar to ~1200 nm. This emission is among the brightest known for monomolecular lumiphores with deep NIR II (>1100 nm) emission, nearly an order of magnitude brighter than the commercially available NIR II dye IR 26. Additionally, this fluorescence is electrochemically sensitive, with efficient switching upon addition of redox agents. The brightness, stability, and modularity of this system distinguish it as a promising candidate for the development of new technologies built around NIR emission.

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

Examination of a Methane/Diesel RCCI Engine Using Pele: Preprint

Multi-fuel, advanced injection strategies have become increasingly promising as a strategy to mitigate the emissions generated from internal combustion engines. By carefully controlling the combustion phasing in-cylinder, these new multi-pulse, multi-fuel injection strategies are able to burn in the low-temperature combustion regime where both NOx and soot are not readily produced, reducing the need for extensive exhaust gas recirculation systems. In this study, we examine a reactivity-controlled compression ignition (RCCI) strategy that uses an early pre-filled methane-air mixture with low turbulence background as the low-reactivity fuel and a direct injection of four discrete dodecane jets as a surrogate for the high-reactivity diesel fuel. We use the Pele software suite, a highly optimized, exascale-ready, adaptive mesh refinement codebase to perform high-resolution numerical simulations of a scaled down, single cylinder from the RCCI engine. Here, we resolve the ignition kernels down to micrometer scales and present several statistical quantities evaluating the development of the flow and detailing the onset of ignition and subsequent flame development. Particular attention is paid to the conditions surrounding the onset of the first ignition kernels and discussing what led to the development of those conditions.

CFD↗
DOE OSTI2024

Additive manufacturing of AISI M2 tool steel by binder jetting (BJ): Investigation of microstructural and mechanical properties

The presented research demonstrates for the first time the successful processing of AISI M2 tool steel by binder jetting, a promising additive manufacturing technique capable of producing complex shapes with minimal residual stresses and isotropic properties. The optimal printing parameters were explored by varying processing parameters such as the binder saturation (45 %–105 %), binder set time (0 to 10 s), targeted bed temperature (50–60 °C), oscillator (2600–2750 rpm), recoater (20–28 mm/s), and roller speeds (200–300 rpm). Microstructural characterization and evaluation of mechanical properties of binder jetted parts were performed using x-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS) to study their chemical composition, powder morphology, microstructure, carbide morphologies, relative density, hardness, compressive strength, and ductility. Two powder sizes (5 and 10 μm) were used, and sintering was performed at varying temperatures (1270, 1280, and 1300 °C) and durations (60 and 120 min), followed by a furnace, air, and water cooling. An optimum hardness of ~970 HV was obtained when parts were sintered at 1270 °C for 60 min, followed by water quenching. Impressive compressive strength of ~ 3580 MPa was observed in the sample sintered at 1280 °C for 60 min duration, followed by air cooling. Furnace-cooled parts showed the highest density of ~95 %, whereas the relative density of air- and water-cooled parts varied between ~91 to 93.50 %, respectively. The microstructure of sintered samples revealed the formation of M 6 C stable carbide, M 2 C metastable carbide, MC as a secondary carbide, and a-Fe matrix, which contributed to the observed increase in mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A comprehensive experimental and kinetic modeling study of di-isobutylene isomers: Part 1

We report di-isobutylene has received significant attention as a promising fuel blendstock, as it can be synthesized via biological routes and is a short-listed molecule from the Co-Optima initiative. Di-isobutylene is also popularly used as an alkene representative in multi-component surrogate models for engine studies of gasoline fuels. However, there is limited experimental data available in the literature for neat di-isobutylene under engine-like conditions. Hence, most existing di-isobutylene models have not been extensively validated, particularly at lower temperatures (< 1000 K). Most gasoline surrogate models include the di-isobutylene sub-mechanism published by Metcalfe et al. with little or no modification. The current study is undertaken to develop a detailed kinetic model for di-isobutylene and validate the model using a wide range of relevant experimental data. Part 1 of this study exclusively focuses on the low- to intermediate temperature kinetics of di-isobutylene. An upcoming part 2 discusses the high-temperature model development and validation of the relevant experimental targets. Ignition delay time measurements for the di-isobutylene isomers were performed at pressures ranging from 15 - 30 bar at equivalence ratios of 0.5, 1.0, and 2.0 diluted in air and in the temperature range 650 - 900 K using two independent rapid compression machine facilities. In addition, measurements of species identified during the oxidation of these isomers were performed in a jet-stirred reactor and in a rapid compression machine. A detailed kinetic model for the di-isobutylene isomers is developed to capture the wide range of new experimental targets. For the first time, a comprehensive low-temperature chemistry submodel is included. The differences in the important reaction pathways for the accurate prediction of the oxidation of the two DIB isomers are compared using reaction path analysis. In conclusion, the most sensitive reactions controlling the ignition delay times of the DIB isomers under the pressure and temperature conditions necessary for autoignition in engines are identified.

09 BIOMASS FUELS↗
DOE OSTI2025

Reorganization of Water at Aqueous Aluminum Chloride (AlCl 3 ) Interfaces: Vibrational Sum Frequency Generation and Molecular Dynamics Simulations

AlCl 3 hydration states and complexation are not well understood both in solutions and at the air–aqueous interface despite their potential significance in natural waters and their industrial and energy-related applications. Here, we investigated Al 3+ and Cl – ion behaviors in an AlCl 3 aqueous bulk solution and at the air–aqueous interface using interface-selective vibrational sum frequency generation (SFG), Raman and infrared spectroscopies, molecular dynamics (MD) simulation, as well as molecular-informed reduced modeling. Our reduced modeling reveals relatively long-range effects for Al 3+ as compared to monovalent ions such as Na + indicating that the interfacial depth of trivalent ions can be significantly larger than that of monovalent ions at the air–water interface. MD simulations reveal interfacial stratification and multiple layering of the ions. Compression of the Al 3+ and Cl – distributions with increasing concentrations from 0.5 to 2.5 m is also observed in the subsurface regions. Significant SSP- and PPP-polarized SFG OH spectral intensity increases are observed from 0.5 to 1.5 m and 0.5 to 2.5 m, respectively, indicative of interfacial depth increases and a change in average orientation above 1.5 m. Extensive evaluation of SFG spectra, Fresnel-corrected using several approaches, shows the same trends. The nonmonotonic trend points to a changing structure in surface and subsurface water orientation and hydrogen bonding environment generally consistent with the MD simulation of stratification and water orientation changes. Furthermore, solvent-shared ion pairing is implicated with MD simulation radial distribution analysis and consistent with infrared spectral identification of the hexaaqua aluminum ion in the solution phase. Spectral evidence of a strong Al 3+ hydration shell and the acidic behavior of the Al 3+ ions is obvious in the Raman and infrared spectra of the bulk solution. In conclusion, we show that the MD dipole potential is directly related to the MD second-order susceptibility of the interface, χ SFG–MD (2) , both of which correlate up to ∼35 Å with the spectral observations of increasing and then saturating intensities, suggesting that both ion stratification and interfacial depth determine the water orientations at an air–water interface of 1-3 electrolyte solutions.

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

Pulsating one-dimensional detonation in ammonia-hydrogen–air mixtures

In this study, one-dimensional detonations in ammonia/hydrogen-air mixtures are numerically investigated by solving the fully compressible Navier-Stokes equations with detailed chemistry. Pulsating instabilities with single-mode are observed during the detonation wave propagation, accompanied by periodic coupling and decoupling of the lead shock wave and the reactive front. The ratio between driver pressure and initial pressure determines the overdrive degree and thus the oscillatory mode of detonation for a premixture with certain composition. The effects of hydrogen dilution and mixture equivalence ratio on pulsating detonations are also examined under a constant driver pressure. The growing hydrogen fraction in fuel blends significantly increases the oscillation frequency. In addition, the pulsating detonation frequency rises with increasing equivalence ratio under fuel-lean conditions, peaks under stoichiometric conditions, and falls under fuel-rich conditions as the equivalence ratio increases further. Evolutions of reactants, main intermediate radicals, and products are analysed in both fuel-lean and fuel-rich conditions. A chemical explosive mode analysis further confirms the highly-autoignitive nature of the mixture in the induction zone between reaction front and shock front where thermal diffusion plays a negligible role.

08 HYDROGEN↗
DOE OSTI2024

Leveraging Existing Assets for Long Duration Energy Storage

Increased renewables penetration to electrical grid is necessary to reduce overall emissions from the electrical power generation sector. Nonetheless, its integration creates challenges to grid operators who must match the power being generated by intermittent renewables and other traditional energy sources with the demand from consumers, while ensuring the reliability and power quality for the entire system. Energy storage has been proposed as an alternative to natural gas peaking plants and a form to deliver excess renewable energy generation at times of peak demand. For energy storage to provide benefits to end customers (energy consumers), it must be reliable, efficient, and cost effective. The Illinois Sustainable Technology Center (ISTC), one of the surveys that integrate the Prairie Research Institute (PRI), aims to develop a Center for Energy Storage at Existing Assets (CESEA) at UIUC with the participation of Waste Pressure Corp and Ecotek Engineering USA LLC. CESEA will focus on LDES systems that can integrate to existing infrastructure in a manner that reduces the initial capital expenditure and demonstrates the ability to repurpose fossil assets that would otherwise become stranded, to serve the energy transition. CESEA aims to leverage UIUC’s unique facilities to validate LDES systems performance at a relevant operating environment. UIUC’s facilities include a 85-MW combined heat and power (CHP) power plant, two (2) solar PV plants totaling over 18 MWdc of installed capacity, an electrical grid along with a substation at transmission and distribution voltages, a 22-mile gas pipeline network operating at two pressure levels, along with steam and chilled water distribution networks. The new LDES systems will connect to the existing UIUC grid through a new test electrical station, which will have the capacity to accommodate additional connections to test new devices and technologies as part of future CESEA R&D activities. The test electrical station will contain meters, instrumentation, and controls to accurately capture data and allow optimization of control algorithms. CESEA will initially focus on technologies that: i) utilize existing equipment or facilities to perform at least one of the process steps in LDES (charging, storage, or discharging), ii) leverage mature or commercially available components or controls, iii) show potential for cost-leadership in 10+ hour storage at a commercial scale. Initial technologies that were identified to meet these criteria include Compressed Gas Energy Storage (CGES), and TES. CGES stores electricity by raising the pressure of a compressible gas inside a control volume and converting the stored energy to electricity via expansion-generation. CGES is a generalization of CAES that covers any working gas (not just air). A successful CGES demo will help to circumvent many challenges faced by CAES (long development times due to site prospecting, high cost of compression and storage, heat recovery management, etc.) by: 1) utilizing existing infrastructure (compressors, pipelines, underground storage or pressure vessels) used in the transportation and storage of industrial gases for LDES charging and storage; 2) deploying over sites already-developed for industrial applications with minor additional work; 3) leveraging the price structure of commercial industrial gas to cover the costs of electricity used during charging. A previous DOE-sponsored conceptual study (DE-FE-0032018) estimated the levelized cost of energy of a 1.1 MW / 17 MWh CGES system at $0.08/kWh, with a commercial 10x scale system cost estimated at <$0.04/kWh (Giardinella, 2022). The pilot-sized system was estimated to avoid up to 2693 tons of CO2/year.

25 ENERGY STORAGE↗
DOE OSTI2022

Modeling and Simulation of Air-Source CO2 Heat Pump Water Heater

Carbon dioxide (CO2) has been widely used as working fluid for the vapor-compression refrigeration systems in large marine device. Due to the potential energy efficiency and the favorable environmental properties of CO2 as a working fluid, CO2 heat pump water heater (HPWH) systems are regarded a promising technology for centralized domestic hot water (DHW) heating in residential and commercial buildings. However, there is still at the early stage of appropriately optimizing and improving the energy performance of CO2 HPWH. This requires CO2 HPWH simulation tools capable of capturing the accurate impact of the emerging compressor, throttle device, and heat exchanger technology on CO2 heat transfer and energy efficiency. In this study, high efficiency components (compressors, pumps, fans, heat exchangers) were identified and applied to the state-of-art CO2 HPWH designs and analyzed their performance by using numerical simulation. This was done by simulating the performance of CO2 HPWH using ACMODEL design model combined with the component models developed at Oak Ridge National Laboratory (ORNL) for orifice tube, map-based compressor, and tube-in-tube gas cooler. ACMODEL is an equipment design model for CO2-based air conditioners and heat pumps developed by Purdue University to account for the details of each component. The simulated CO2 HPWH performance was then compared with the heat pump water heater using conventional refrigerants.

Gao, Zhiming↗
DOE OSTI2024

Technology Feasibility of High-Temperature Heat Pumps for Industrial Drying Process in the US

High-temperature heat pumps are a prospective technology for electrifying and decarbonizing industrial drying processes. This study investigates the technological potential of HTHPs in replacing fossil-fuel burners or steam boilers in industrial spray dryers. The performance of HTHPs with three configurations was investigated, including high high-temperature heat pump boosted with an electric air heater, a steam-generating high-temperature heat pump with multi-stage mechanical vapor compressions, and transcritical high-temperature heat pumps. R1336mzz(Z) is used as the refrigerant in both subcritical and transcritical high-temperature heat pumps, and R717 is used as the working fluid in the mechanical vapor recompression and the heat transfer fluids. Thermodynamic models are built to evaluate the energy efficiency of HTHPs. A case study was carried out on an industrial spray dryer integrated with a waste heat recuperator, where the HTHPs are used to recover precooled air with a dew point of 40℃ and supply heat for drying air at 200℃. For a high-temperature heat pump boosted with an electric air heater, a higher system-level COP is achieved with a high supply temperature from high-temperature heat pump. For a high-temperature heat pump with mechanical vapor recompressions, larger temperature drops in the flashing tank provide higher heat capacities but almost constant values of the coefficient of performance. For a transcritical high-temperature heat pump, an optimum discharge pressure exists for the temperature profiles within the gas cooler and the coefficient of performance. The transcritical high-temperature heat pump provides the best energy efficiency among the three configurations. The theoretical results prove the technical feasibility of high-temperature heat pumps in industrial air-drying applications. .

Wang, Pengtao↗
DOE OSTI2024

New Thermochemical Salt Hydrate System for Energy Storage in Buildings

This paper introduces an innovative design for an “inorganic salt-expanded graphite” composite thermochemical system. The storage unit is made of a perforated, compressed, expanded graphite block impregnated with molten CaCl 2 ∙6H 2 O; the humid air passes through the holes that allow the moisture to diffuse and react with the salt. The prepared block underwent 90 hydration-dehydration cycles. Although most of the performed cycles were carried out with salt overhydration and deliquescence, the treated samples have remained mechanically and thermally stable with no drop in energy density. The volumetric energy density of the composite ranged from 135.5 to 277.6 kWh/m 3 , depending on airflow rate and absolute humidity. To ensure composite material cycling stability, the energy density of the block was measured during hydration at similar conditions of absolute humidity, inlet temperature, and airflow rate (0.01 kg water /kg air , 20 °C, 400 l/min). The average energy density at these conditions was sustained at 219 kWh/m 3 . The block integrity was monitored by visual inspection after removing it from the reactor chamber every few cycles. Both the composite material and its manufacturing process are simple and easy to scale up for future commercialization.

25 ENERGY STORAGE↗
DOE OSTI2022

Experimental Investigation of the Effect of Atomizing Electrospray Nozzles on the Cooling and Reduced Humidification of Air

Separating sensible and latent cooling have shown the potential to reduce energy consumption in A/C systems for building HVAC applications. Several technologies exist based on vapor-compression refrigeration, enthalpy wheels, chemical adsorption and absorption materials, and mechanical cooling. However, their thermodynamics limits and high energy consumption hinder their deployment in hot and humid climatic regions. This paper focuses on separating sensible and latent cooling by using a new thermodynamics process and in-kind (i.e., non-vapor compression-based) technology. Highly electrically charged water droplets were sprayed in the airflow. These droplets attracted water vapor molecules to their surfaces and promoted condensation. The phenomenon was the result of simultaneous dielectrophoresis and electro-diffusion interactions. Studies in the literature have shown that using multiple capillary electrodes reduced air moisture by up to 5% when using nanometer-size droplets in the spray. Unfortunately, these studies were limited to low airflow rates, and the objective of this paper was to investigate how to scale up this in-kind approach to airflows typical of buildings. In the present paper, droplets of micrometer size were utilized to control the humidity for a 5-cfm flow rate. While this airflow was still low for building applications, it was 100 times fold the airflows in the literature studies. The air was tested at 20°C and at 50 and 80% relative humidity. A two-fluid atomizing nozzle produced the droplets in the spray, and high DC electric potential, up to 25 kV, was used to charge the fine droplets electrically. The air atomizing nozzle with high voltage potential resembled an evaporative cooler process. However, a measurable reduction of the absolute humidity of up to 2% was observed compared to the case of the nozzle with no high voltage potential. The entire device had one small nozzle selected from off-the-shelf components and had less than a 9 cm2 footprint area.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Experimental Investigation of the Effect of Air-Handling and DME-Propane Blends on the Performance and Emissions of a 4-Cylinder CI Engine

Dimethyl ether (DME) is considered an excellent alternative to diesel because of its higher cetane number and lower carbon content. Additionally, DME can be blended with abundantly available propane with minimal modifications to the propane infrastructure. This paper focuses on an experimental investigation of the effect of air-handling i.e., boost pressure and exhaust gas recirculation (EGR), and DME-propane blends on the combustion and emissions performance of a light-duty, four-cylinder, compression ignition (CI) engine. Here, the boost pressure and EGR sweeps were carried out and showed that higher boost pressures resulted in increased brake thermal efficiencies (BTE) at the expense of higher NOx emissions which could be reduced by an increase in EGR. The fuel sweeps were carried out at 0, 15 and 25% propane (neat, 85% and 75% DME) with 0% and 25% EGR. The fuel sweeps indicated that the ignition delay (ID) increased and burn duration (BD) decreased monotonically when the blend increased to 25% propane/75% DME. The results suggest optimum engine performance with neat DME at 105 kPa boost pressure and 25% EGR with propane addition improving the BTE with negligible increase in emissions. Higher contents of Propane, up to 25%, did not affect the variability of combustion, with standard deviations of burn duration and peak cylinder pressures below 1% for all test cases.

air-handling↗
DOE OSTI2020

Bench Scale Testing of Next Generation Hollow Fiber Membrane Modules

This project seeks to develop a next generation membrane material (PI-2) for application in Air Liquide’s (AL) hybrid process. Combining the cold membrane operation with an integrated CO 2 Compression and Purification Unit (CPU) significantly reduces the overall cost of CO 2 capture. The proposed work will accelerate the membrane bundle fabrication, scale-up and performance validation of this new material. The proposed novel membrane development, combined with the results of the previous Cold Membrane Project, will provide the best opportunity for AL to meet the long term development targets of the DOE with respect to timing, cost, and performance for CO 2 capture. Our previous field test program (DE-FE0013163) showed promising results for the hybrid process utilizing the existing commercial AL membrane bundles (PI-1 material). The project work has also shown the potential for significant improvements through initial laboratory tests with the novel material (PI-2). The initial PI-2 results show a step-change in membrane permeance. This will enable further reduction in the cost of CO 2 capture by reducing the number of membrane modules and associated equipment in the system. In order to capture this value, however, the new material needs to be validated by field testing of large bundles, representative of commercial production. Lastly, a comprehensive evaluation of novel hybrid processes and costs needs to be completed to ensure optimal use of this improved material performance. The current project seeks to develop this next generation membrane to TRL 5 (approximately 600 - 1,000 Nm3/h flue gas, 350 - 600 scfm, 0.2 - 0.3 MWe equivalent). Air Liquide manufacturing methodology will be applied to fabricate prototype (4”) membrane modules from PI-2 material. Once the manufacturing methods prove reliable with the new material, and performance is demonstrated in line with expectation, 6” commercial scale bundles will be fabricated. Recognizing that a low cost membrane solution by itself may not meet DOE’s LCOE target for CO 2 capture, we will also perform simulation studies of novel hybrid processes in combination with the next generation membrane technology. This approach has the best potential for exceeding the DOE targets. The best evaluation of the new commercial units will be performance testing under real flue gas at the NCCC. Finally, a rigorous TEA, which incorporates the novel process studies and field performance, will be completed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Corrosion of Metal Alloys in Potassium Acetate Solutions for Liquid Desiccant Dehumidification and Air Conditioning

For commercial buildings, liquid desiccant air conditioners (LDACs) could provide up to 80% energy savings compared to high-efficiency vapor compression AC, but commonly utilized liquid desiccants are highly corrosive. This precludes the use of metallic components, necessitating specialized plastics and thereby driving up cost, weight, and limiting operational temperature and pressure ranges. Less corrosive alternatives are sought. Here, potassium acetate solutions are investigated as less-corrosive alternatives to the chloride salt solutions that are typically used in LDAC systems. Corrosion evaluations for a Cu alloy (C12200) and two Al alloys (Al3003 and Al1100) in both potassium acetate and chloride salt solutions are presented. We show that yearly corrosion rates are lower in potassium acetate solutions by up to three orders of magnitude. Active corrosion behavior is largely absent in potassium acetate solutions but is present in chloride salt solutions. Furthermore, solid corrosion products are observed in chloride salt solutions. Thus, we conclude that potassium acetate is a promising candidate as a less corrosive alternative liquid desiccant for LDAC systems with metallic components.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Validated model of a thermoelectric heat pump clothes dryer using secondary pumped loops

The energy associated with clothes drying makes up 4% of the total residential electrical energy consumption in the US. The cost is high since most clothes dryers use electric resistance heating which is inexpensive but also energy inefficient. State-of-the-art vapor-compression heat pump clothes dryers offer significant energy savings but have limited market penetration in the US. Here, a new configuration of clothes dryer was studied that utilizes a solid-state thermoelectric heat pump with pumped secondary water loops and conventional fin-and-tube water-to-air heat exchangers. Experimental results are presented for the thermoelectric dryer prototype with a combined energy factor of 6.89 lb BDW /kWh (specific moisture extraction rate of 1.71 kg w /kWh) and a dry time of 84 min for a standard load size of 8.45 lb (3.83 kg) with 57.5% starting moisture content. This is a 85% energy efficiency improvement over baseline electric resistance dryers. The efficiency and drying time results achieved are similar to vapor compression heat pump dryers. Compared to previous air-based thermoelectric clothes dryers, the energy efficiency has been increased by 6%, but drying time has been reduced by as much as 47% using secondary pumped loops and separate heat exchangers, which represents a significant advancement in the technology. In addition to the experimental prototype, a model was also developed to study the performance. The model was validated against experimental prototype data and used to identify the range of performance (dry time and efficiency) that could be expected of the design.

42 ENGINEERING↗
DOE OSTI2020

Understanding how chemical structure affects ignition-delay-time $\phi$-sensitivity

$\phi$-sensitivity is the change in ignition delay time (IDT) with respect to the fuel-to-air equivalence ratio ($\phi$). High $\phi$-sensitivity is a desirable fuel property for applications in advanced compression ignition and multi-mode engine designs. Understanding how $\phi$-sensitivity depends on chemical structure is essential for selecting promising biofuels from the ever-growing list of proposed candidates. Here, we investigate the effect of chemical structure on $\phi$-sensitivity with experiment, simulation, and theory. Experimental Advanced Fuel Ignition Delay Analyzer (AFIDA) measurements for 2,4-dimethylpentane and diisopropyl ether provide evidence that branching and functional groups strongly impact $\phi$-sensitivity. Further insights into this dependence are obtained with 0-D kinetic simulations with existing mechanisms for n-pentane, diethyl ether, 3-pentanone, n-heptane, 2-methylhexane, 2,4-dimethylpentane, and 2,2,3-trimethylbutane. Quantum mechanical (QM) G4 calculations of low-temperature reactions help explain the observed experimental and simulation trends. Specifically, these QM calculations provide theoretical estimates of the ketohydroperoxide (KHP) dissociation rates, the HO 2 formation rates from peroxy radical (ROO), and the “cross-over” temperatures, i.e., the temperature at which ROO dissociation is favored compared to hydroperoxyl radical (QOOH) formation. Each of these reaction rates is compared to the n-alkane reference point to determine the impact of branching and different functional groups. Although kinetic mechanisms typically assume that KHP dissociation rates are invariant of chemical environment, our QM results suggest that this rate can span a range of roughly two orders of magnitude. We also discuss the importance of including the peroxy-hydroperoxy (OO-OOH) hydrogen transfer reaction for branched ethers. Finally, the insights gained assist in proposing a highly $\phi$-sensitive compound, namely, isopropyl propyl ether.

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

Use of a Be-dome holder for texture and strain characterization of Li metal thin films via sin 2 (ψ) methodology

Residual strain in electrodeposited Li films may affect safety and performance in Li metal battery anodes, so it is important to understand how to detect residual strain in electrodeposited Li and the conditions under which it arises. To explore this Li films, electrodeposited onto Cu metal substrates, were prepared under an applied pressure of either 10 or 1000 kPa and subsequently tested for the presence or absence of residual strain via sin 2 (ψ) analysis. X-ray diffraction (XRD) analysis of Li films required preparation and examination within an inert environment; hence, a Be-dome sample holder was employed during XRD characterization. Results show that the Li film grown under 1000 kPa displayed a detectable presence of in-plane compressive strain (–0.066%), whereas the Li film grown under 10 kPa displayed no detectable in-plane strain. Here, the underlying Cu substrate revealed an in-plane residual strain near zero. Texture analysis via pole figure determination was also performed for both Li and Cu and revealed a mild fiber texture for Li metal and a strong bi-axial texture of the Cu substrate. Experimental details concerning sample preparation, alignment, and analysis of the particularly air-sensitive Li films have also been detailed. This work shows that Li metal exhibits residual strain when electrodeposited under compressive stress and that XRD can be used to quantify that strain.

36 MATERIALS SCIENCE↗