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Charge exchange collisions for 1.5-25 kev He ion beam passed through Cs vapor target of various densities, noting cross sections and composition of products
Charge exchange collisions in ground state and ionic hydrogen incident on cesium vapor, measuring beam components after passage through target
The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) site in Morgantown, West Virginia, were used to characterize the Upper Jurassic (Oxfordian) Smackover limestone in the Roberson 18-19 1-15H core retrieved from the Atlanta Field, Columbia County, Arkansas. The 365.68-ft long Roberson core came from a vertical well at depths 8,802 ft to 9,169.60 ft, drilled by Southwestern Energy targeting the Smackover Formation as a potential unconventional oil reservoir. The primary impetus of this work was to non-destructively characterize core from the Smackover Formation that was acquired through a core exchange with Southwestern Energy. The Smackover Formation is an unconventional limestone play in southern Arkansas. This report and the associated scans provide detailed datasets not typically made publicly available from unconventional limestone for analysis. The resultant datasets are presented in this report and can be accessed from NETL’s Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/roberson-smackover.
The sandTES technology utilizes a fluidized bed counter current heat exchanger for thermal energy storage applications. Its main feature is an imposed horizontal flow of sand (SiO2) particles fluidized by a vertical air flow across a heat exchanger consisting of several horizontal rows of tubes. Past international research on heat transfer in dense fluidized beds has focused on stationary (stirred tank) systems, and there is little to no information available on the impact of longitudinal or helical fins. Previous pilot plant scale experiments at TU Wien led to the conclusion that the currently available correlations for predicting the heat transfer coefficient between the tube surface and the surrounding fluidized bed are insufficient for the horizontal sand flow imposed by the sandTES technology. Therefore, several smaller test rigs were designed in this study to investigate the influence of different tube arrangements and flow conditions on the external convective heat transfer coefficient and possible improvements by using finned tubes. It could be shown that helically finned tubes in a transversal arrangement, where the horizontal sand flow is perpendicular to the tube axes, allows an increase in the heat transfer coefficient per tube length (i.e., the virtual heat transfer coefficient) by a factor of 3.5 to about 1250 W/m2K at ambient temperature. Based on the literature, this heat transfer coefficient is expected to increase at higher temperatures. The new design criteria allow the design of compact, low-cost heat exchangers for thermal energy storage applications, in particular electro-thermal energy storage.
It has long been known that the earth behaves viscoelastically. Viscoelasticity may be of importance in two aspects of mantle convection, including time-dependent behavior and local storage of recoverable work. The present investigation makes use of thermal convection in a box as a prototype of mantle flow. It is demonstrated that recoverable work can be important to the local mechanical energy balance in the descending lithosphere. It is shown that, even when assuming large viscoelastic parameters, an inherent time-dependence of viscoelastic convection appears only in local exchanges of mechanical energy. There is no strong exchange between buoyant potential energy and recoverable strain energy in the Rayleigh number range investigated. The investigation is mainly concerned with viscoelastic effects occurring on a buoyant time scale. It is found that viscoelastic effects have a negligible influence on the long term thermal energetics of mantle convection.
The state-averaged complete-active space self-consistent field method (SA-CASSCF) is a widely employed electronic structure method used for studying photochemistry and dynamics owing to its ability to provide a reliable description even of complicated cases while still retaining computational efficiency. However, SA-CASSCF suffers from one Achilles heel, related to the description of ionic ππ* excited states, whose energy is often overestimated by 1–2 eV. In light of this challenge, we present the XS-CASSCF method, a new approach based on the idea of exchange scaling (XS) that screens the involved energy terms to improve the excitation energies of singlet ionic ππ* states. First, we illustrate the power of the XS-CASSCF method using hexatriene and para-quinodimethane as examples, showing that it corrects the targeted ionic states while leaving the other states largely unaffected, giving root-mean-square errors (RMSE) below 0.2 eV for the four lowest states in both cases. Subsequently, XS-CASSCF vertical excitation energies are tested against theoretical best estimates for a set of 11 molecules and 56 excited states. XS-CASSCF performs exceptionally well for the ππ* states of hydrocarbons, reducing the RMSE over 21 excitation energies from 0.96 to 0.27 eV. In the challenging subset of molecules with heteroatoms and a larger number of ππ* and nπ* states, we find that improvements can also be obtained, albeit not as pronounced. We conclude with an outlook into more realistic molecular materials focusing on their singlet–triplet (S 1 /T 1 ) gaps, finding that significant improvements can be obtained along the whole range of S 1 /T 1 gaps studied, going from 0.1 eV to more than 1.5 eV. Owing to notable improvements across significant classes of molecules combined with its conceptual simplicity, we believe that XS-CASSCF is a promising addition to the electronic structure toolbox, serving both as a standalone electronic structure method and as a starting point for further correlated treatment.
Anion exchange polymers (AEPs) play a crucial role in green hydrogen production through anion exchange membrane water electrolysis. The chemical stability of AEPs is paramount for stable system operation in electrolysers and other electrochemical devices. Given the instability of aryl ethercontaining AEPs under high pH conditions, recent research has focused on quaternized aryl ether-free variants. The primary goal of this review is to provide a greater depth of knowledge on the synthesis of aryl ether-free AEPs targeted for electrochemical devices. Synthetic pathways that yield polyaromatic AEPs include acid-catalysed polyhydroxyalkylation, metal-promoted coupling reactions, ionene synthesis via nucleophilic substitution, alkylation of polybenzimidazole, and Diels–Alder polymerization. Polyolefinic AEPs are prepared through addition polymerization, ring-opening metathesis, radiation grafting reactions, and anionic polymerization. Discussions cover structure–property–performance relationships of AEPs in fuel cells, redox flow batteries, and water and CO 2 electrolysers, along with the current status of scale-up synthesis and commercialization.
CNDOL is an a priori, approximate Fockian for molecular wave functions. In this study, we employ several modes of singly excited configuration interaction (CIS) to model molecular excitation properties by using four combinations of the one electron operator terms. Those options are compared to the experimental and theoretical data for a carefully selected set of molecules. The resulting excitons are represented by CIS wave functions that encompass all valence electrons in the system for each excited state energy. The Coulomb–exchange term associated to the calculated excitation energies is rationalized to evaluate theoretical exciton binding energies. This property is shown to be useful for discriminating the charge donation ability of molecular and supermolecular systems. Multielectronic 3D maps of exciton formal charges are showcased, demonstrating the applicability of these approximate wave functions for modeling properties of large molecules and clusters at nanoscales. This modeling proves useful in designing molecular photovoltaic devices. Our methodology holds potential applications in systematic evaluations of such systems and the development of fundamental artificial intelligence databases for predicting related properties.
The Reggeized pion is expected to provide the main contribution to the forward cross section in light meson photoproduction reactions with charge exchange at high energies. We discuss the Reggeization of pion exchange in charged pion photoproduction with an emphasis on consistency with current conservation. We show that the gauge-invariant amplitude for the exchange of a particle with a generic even spin J ≥ 2 in the t channel is analytic at J = 0 and that it can be interpreted in terms of the nucleon electric current. This enables us to reconcile the dynamics in the s and u channel, which involves also nucleon exchanges, with the amplitude expressed in terms of t -channel partial waves, as required by Regge theory. Published by the American Physical Society 2024
An impact parameter method for calculating cross sections as a function of incident ion energy is used in conjunction with an improved exchange energy formulation to update several of the charge exchange cross sections currently used in Io plasma torus modeling. New cross sections for S(+) + S(2+) yielding S(2+) + S(+) and Na(+) on neutral targets, useful in analyzing the fast Na jets observed at Io, are also calculated.
Exchanging heat between hot and cold streams within an advanced life support system can save energy. This savings will reduce the equivalent system mass (ESM) of the system. Different system configurations are examined under steady-state conditions for various percentages of food growth and waste treatment. The scenarios investigated represent possible design options for a Mars reference mission. Reference mission definitions are drawn from the ALSS Modeling and Analysis Reference Missions Document, which includes definitions for space station evolution, Mars landers, and a Mars base. For each scenario, streams requiring heating or cooling are identified and characterized by mass flow, supply and target temperatures and heat capacities. The Pinch Technique is applied to identify good matches for energy exchange between the hot and cold streams and to calculate the minimum external heating and cooling requirements for the system. For each pair of hot and cold streams that are matched, there will be a reduction in the amount of external heating and cooling required, and the original heating and cooling equipment will be replaced with a heat exchanger. The net cost savings can be either positive or negative for each stream pairing, and the priority for implementing each pairing can be ranked according to its potential cost savings. Using the Pinch technique, a complete system heat exchange network is developed and heat exchangers are sized to allow for calculation of ESM. The energy-integrated design typically has a lower total ESM than the original design with no energy integration. A comparison of ESM savings in each of the scenarios is made to direct future Pinch Analysis efforts.
The development of proton exchange membrane (PEM) fuel cell power plants with high energy efficiencies and high power densities is gaining momentum because of the vital need of such high levels of performance for extraterrestrial (space, underwater) and terrestrial (power source for electric vehicles) applications. Since 1987, considerable progress has been made in achieving energy efficiencies of about 60 percent at a current density of 200 mA/sq cm and high power densities (greater than 1 W/sq cm) in PEM fuel cells with high (4 mg/sq cm) or low (0.4 mg/sq cm) platinum loadings in electrodes. The following areas are discussed: (1) methods to obtain these high levels of performance with low Pt loading electrodes - by proton conductor impregnation into electrodes, localization of Pt near front surface; (2) a novel microelectrode technique which yields electrode kinetic parameters for oxygen reduction and mass transport parameters; (3) demonstration of lack of water transport from anode to cathode; (4) modeling analysis of PEM fuel cell for comparison with experimental results and predicting further improvements in performance; and (5) recommendations of needed research and development for achieving the above goals.
The thermal-to-electric conversion efficiency of next-generation supercritical carbon dioxide and concentrated solar power plants is significantly augmented by operating at temperatures exceeding 1000 °C if durable, compact, high-temperature heat exchangers (HXs) are developed. Whereas metal 3D-printed HXs fail to operate under extreme temperature conditions, ceramic 3D-printed HXs are deemed promising candidates for high-temperature, highly oxidizing environments. Ceramic 3D-printed HXs, however, exhibit a high gas permeability issue through hot and cold separating walls due to an excessive non-volatile photopolymer content utilized. Here, in this work, a novel leak-free lung-inspired ceramic 3D-printed HX employing a highly complex heat transfer topology is introduced for high-temperature energy-efficient systems. The high permeability issue of ceramic 3D-printed HXs is fully eliminated through a uniform zinc-based coating. It was determined that the effective thermal conductivity of the sintered ceramic heat exchangers is affected by the coated layer. The high-temperature thermal and hydraulic characteristics of the lung-inspired ceramic 3D-printed HX are comprehensively examined and compared against a millichannel 3D-printed HX module. Experimental results indicated that the lung-inspired 3D-printed ceramic HX significantly outperforms its millichannel counterpart. The lung-inspired HX shows a volume-based power density of 8.2 MW/m3 at a hot-side inlet air temperature of 700°C, a 71 % improvement compared with that of the millichannel HX. More importantly, the higher thermal duty of the lung-inspired 3D-printed HX is realized at a lower normalized pressure drop penalty of 510 Pa/W, 22 % lower than that of the millichannel ceramic HX. This study accelerates the advancement of high-performance ceramic 3D-printed HXs with complex topologies for high-temperature energy-efficient systems and/or corrosive environments.
Ground source (geothermal) heat pumps (GSHPs) can meet the thermal demands of buildings in an energy-efficient manner. The current high installation costs and long payback period limit the attractiveness of GSHP installation in the United States. Vertical borehole ground heat exchangers (VBGHEs), which are commonly used in GSHP systems, contribute most to the cost premium of GSHPs. Reducing the cost of VBGHEs could help increase market penetration of GSHP systems. This paper reviews recent developments for VBGHEs, including improvements in borehole heat transfer and borehole field layout, integration with thermal energy storage, and new design tools. Improvements in the borehole design and materials are more likely to be justified when the ground has high thermal conductivity. Integrating thermal energy storage can provide additional value to the GSHP system, especially when flexible electric demand at buildings becomes more valuable. Here, advanced design tools for VBGHEs that account for the thermal response of irregularly shaped borehole fields and that are more closely integrated with whole-building energy simulation programs may facilitate more innovations and optimization of GSHP system designs.
Five tasks to select, design, fabricate, test and evaluate candidate active heat exchanger modules for future applications to solar and conventional utility power plants were discussed. Alternative mechanizations of active heat exchange concepts were analyzed for use with heat of fusion phase change materials (PCMs) in the temperature range of 250 to 350 C. Twenty-six heat exchange concepts were reviewed, and eight were selected for detailed assessment. Two candidates were selected for small-scale experimentation: a coated tube and shell heat exchanger and a direct contact reflux boiler. A dilute eutectic mixture of sodium nitrate and sodium hydroxide was selected as the PCM from over 50 candidate inorganic salt mixtures. Based on a salt screening process, eight major component salts were selected initially for further evaluation. The most attractive major components in the temperature range of 250 to 350 C appeared to be NaNO3, NaNO2, and NaOH. Sketches of the two active heat exchange concepts selected for test are given.
The project team of Southwest Research Institute ® (SwRI ® ), Malta Inc. (Malta), and Luminant Generation Company LLC (Luminant) completed a feasibility study for the integration of a 100-MW, 10-hour (1000-MWh) Malta Pumped Heat Energy Storage (MPHES) system with multiple full-sized fossil-fired electricity generation units (EGU) in Luminant portfolio. MPHES is a long-duration, molten-salt-energy storage technology that uses turbomachinery and heat exchangers to transfer energy to a thermal storage media when charging, and removes the heat in a similar fashion when discharging. With high round trip efficiency (60-65%) and long lifespan (30+ years), MPHES provides economic benefits to the fossil-asset owners that can be scaled to integrate with assets across their portfolio. This technology uses hardware components, workforce personnel, and skillsets similar to those used by fossil EGUs, allowing for synergy when co-locating the two technologies. Luminant has approximately 39,000 megawatts of generation across 12 states, operating in six of the seven competitive markets in the U.S. and powered by a diverse portfolio of natural gas, nuclear, coal, and solar facilities. The DeCordova plant in Granbury, Texas, a simple cycle natural gas peaker power plant, was used as the fossil-fired asset in this project. The local market in Granbury, Texas has many influences, including several nearby power plants, a Luminant-owned nuclear plant (Comanche Peak), and substantial wind energy, which causes both negative pricing at night and high market volatility. Reducing false starts of the DeCordova plant and better responding to market volatility would be an economic advantage. Luminant is currently integrating battery storage plant on site to begin addressing these challenges. Integrating long-duration storage, like MPHES, would expand this capability beyond one hour of storage and have the potential to greatly reduce the total number of gas turbine starts. The MPHES charging requirement could help offset the overnight operating costs of Comanche Peak, which cannot load follow, and the nearby Luminant-owned Wise County combined cycle plant that cycles too often. Following the assessment of Luminant’s ERCOT-based portfolio for integration compatibility with Malta’s PHES system and the project tasks of conceptual study, technoeconomic analysis, technology gap assessment, and commercialization plan, the project team effort has resulted in several key outcomes: (1) Identification of market trends in a high-wind penetration market outside a major metropolitan area; (2) Creation of a dispatching model for the MPHES system and the pairing of Li-ion battery with a gas turbine in a real time market; (3) Revenue and cost estimations for operating MPHES alongside a gas peaker plant with real dispatching considerations and comparison with variations in the Malta implementation, including doubling the storage capacity and using two discharge drivetrains; (4) Potential carbon emission reductions possible by replacing gas turbine operation with Malta PHES operation; and (5) Summary of literature-based future market predictions for Texas.
Warm dense matter is a highly energetic phase characterized by strong correlations, thermal effects, and quantum mechanical electrons. Thermal density functional theory is commonly used in simulations of this challenging phase, driving the development of temperature-dependent approximations to the exchange–correlation free energy. Approaches using the adiabatic connection formula are well known at zero temperature and have been recently leveraged at non-zero temperatures as well. In this work, a generalized thermal adiabatic connection (GTAC) formula is proposed, introducing a fictitious temperature parameter. This allows extraction of the exchange–correlation entropy S XC using simulated interaction strength scaling. Here, this procedure uses a Hellmann–Feynman approach to express the exchange–correlation entropy in terms of a temperature- and interaction strength-dependent exchange–correlation potential energy. In addition, analysis of S XC as a function of interaction strength suggests new forms for approximations, and GTAC itself offers a new framework for exploring both the exact and approximate interplay of temperature, density, and interaction strength across a wide range of conditions.
The National Association of State Energy Officials (NASEO) worked with the U.S. Department of Energy’s (DOE) Office of Energy Efficiency and Renewable Energy (EERE), Weatherization and Intergovernmental Programs Office (WIP) over a ten year period to provide technical assistance, research and analyses, and enhanced coordination between DOE and the State and Territory Energy Offices. Over the life of the agreement, NASEO worked with WIP and the states to provide statewide strategic energy plan analyses and recommendations, including customized technical assistance to the states; peer to peer financing assistance via NASEO’s Financing Committee and supporting activities; training on core energy policies and programs, including dialogues and resources to support energy-air coordination, a training for new State Energy Office Directors, peer to peer exchange via a rural energy taskforce, and support to states to enhance buildings efficiency, home energy labeling, and technology deployment opportunities; support for State Energy Program metrics; and regional coordination via regional coordinators and peer exchange opportunities both in-person and online. Over the life of the project, the position and role of State Energy Offices within state government has changed, with now 80 percent of State Energy Office Directors serving as their Governor’s energy advisor, or reporting directly to their Governor’s energy advisor. This shift in stature has made it ever more crucial for State Energy Offices to receive timely and relevant technical assistance across a range of energy issue areas. NASEO, in collaboration with WIP, was able to deliver this technical assistance, and energy efficiency and renewable energy deployment has accelerated across the country. The State Energy Office Directors and their staff continue to engage in NASEO’s Committees – many of which were supported through this agreement – and have provided formal and informal feedback on the value of the programs supported through this award (e.g., reporting via survey increased understanding of their roles and technical assistance offerings provided by WIP and NASEO following the New Director Trainings). Moreover, resources developed through this award (e.g., Comprehensive State Energy Planning Guidelines, State Energy Loan Fund Database, Rural Data Resources for State Energy Planning and Programs, The Value of Adding home Energy Score to Low-Income Energy Efficiency Programs, etc.) have been cited by states as instrumental to their understanding of specific energy issue areas and in many cases led directly to enhanced program design within a state (e.g. Iowa citing their review of NASEO’s Comprehensive State Energy Planning Guidelines as a necessary first step in their planning process, later following may of the steps outlined in the guidelines). The priorities of the states and federal government have evolved over the last decade, with an increasing focus on climate mitigation and adaptation, equity impacts and considerations, energy security and resilience, and enhanced energy efficiency and renewable energy technology deployment, but the roots of these new priorities are based in the state and federal policies and programs, and research and analyses, that were supported in part through this award and other complementary initiatives. NASEO looks forward to continuing to support the states, and collaborate and coordinate with DOE, as we build on this important foundation in the years ahead.