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At least 1,513 records · Page 84

TEA Modeling to Quantify Economic Implications for Biorefinery Processing of Isolated Anatomical Fractions of Corn Stover

The Feedstock-Conversion Interface Consortium (FCIC; https://www.energy.gov/sites/prod/files/2020/01/f70/beto-fcic-overview-web.pdf), a collaboration of nine national laboratory partners, seeks to understand impacts of feedstock attributes on biorefinery performance. It is hypothesized that different individual anatomical fractions of corn stover vary in composition and recalcitrance, such that processing each fraction on its own through dedicated campaigns may enable better biorefinery economics overall relative to processing the whole stover material. This presentation focuses on techno-economic analysis (TEA) modeling to quantify the yield and cost ramifications for processing isolated anatomical fractions of corn stover through a low-temperature conversion biorefinery, reflecting a biochemical processing pathway consisting of biomass deconstruction through pretreatment and enzymatic hydrolysis, sugar fermentation and upgrading to hydrocarbon fuels, and lignin upgrading to value-added coproducts. Commercial-scale process simulation and economic evaluation leveraged experimental and analytical data from FCIC researchers for conversion of whole corn stover plus three individual anatomical fractions (cobs, husks, and stalks) across key steps of the conversion process. Our assessment found encouraging potential for biorefinery economic gains that may be achieved through this approach. TEA results indicated fuel yields varying from 29-44 gallons gasoline equivalent (GGE)/dry ton for the individual anatomical fractions compared to whole stover at 34 GGE/ton, equating to minimum fuel selling prices (MFSPs) between $6.37-$10.18/GGE for the fractions versus $8.76/GGE for whole stover (when lignin is burned), or $9.15-$15.19/GGE for the fractions versus $13.11/GGE for whole stover (when lignin is upgraded to coproducts, based on current experimental performance levels). Cobs and husks demonstrated the ability to achieve the highest fuel yields and lowest MFSPs, outperforming whole stover, while stalks led to the opposite result, as a composite reflection of compositional differences and process convertibility. Notably, even when taking the weighted average of the results reflecting each anatomical fraction weighted by its corresponding makeup of corn stover, this feasibility TEA screening supports feedstock cost allowances on the order of roughly $22-$29/ton as may reflect accommodating additional biomass fractionation equipment during feedstock pre-processing upstream of the conversion biorefinery gate to separate corn stover into such constituent fractions. Or viewed differently, the weighted average MFSP for the fractions was found to be $0.31-$0.32/GGE lower than the MFSP for the whole stover basis across either lignin scenario, when maintaining a fixed biomass feedstock cost. These findings highlight favorable implications for biorefinery economics as may be achieved by moving to a staged campaign approach for processing different corn stover fractions sequentially. Further opportunities exist for future work to fill in data gaps for remaining anatomical constituents (e.g. leaves) that were not included in the initial experimental studies, though are expected to maintain similar trends.

biochemical processing pathway↗

Nontangent, Developed Contour Bulkheads for a Wing-Body Single Stage Launch Vehicle

Dry weights for a SSTO vehicle which incorporates nontangent, developed contour bulkheads are estimated and compared to a baseline vehicle with 1.41 4 aspect ratio ellipsoidal bulkheads, Weights, volumes and heights of optimized bulkhead designs are computed using a preliminary design bulkhead analysis code. The dry weight of a vehicle which incorporates the optimized bulkheads is predicted using a vehicle weights and sizing code. Two optimization approaches are employed. A structural-level method, where the vehicle s three major bulkhead regions are optimized separately and then incorporated into a model for computation of the vehicle dry weight, predicts a reduction of 4365 Ib (2.2 percent) from the 200,679 Ib baseline vehicle dry weight. In the second, vehicle-level, approach, the vehicle dry weight is the objective function for the optimization. During the vehicle- level analysis, modified bulkhead designs are first analyzed, then incorporated into the weights model for computation of a dry weight. The optimizer simultaneously manipulates design variables for all three bulkheads to reduce the dry weight. The vehicle-level analysis predicts a dry weight reduction of 5129 Ib, a 2.6 percent reduction from the baseline value. These results suggest that nontangent, developed contour bulkheads may provide substantial weight savings for SSTO vehicles.

Wu, K. Chauncey↗

Analysis of Proteins, Protein Complexes, and Organellar Proteomes Using Sheathless Capillary Zone Electrophoresis - Native Mass Spectrometry

Native mass spectrometry (MS) is a rapidly advancing field in the analysis of proteins, protein complexes, and macromolecular species of various types. The majority of native MS experiments reported to-date has been conducted using direct infusion of purified analytes into a mass spectrometer. In this study, capillary zone electrophoresis (CZE) was coupled online to Orbitrap mass spectrometers using a commercial sheathless interface to enable high-performance separation, identification, and structural characterization of limited amounts of purified proteins and protein complexes, the latter with preserved non-covalent associations under native conditions. The performance of both bare-fused silica and polyacrylamide-coated capillaries was assessed using mixtures of protein standards known to form non-covalent protein–protein and protein–ligand complexes. High-efficiency separation of native complexes is demonstrated using both capillary types, while the polyacrylamide neutral-coated capillary showed better reproducibility and higher efficiency for more complex samples. The platform was then evaluated for the determination of monoclonal antibody aggregation and for analysis of proteomes of limited complexity using a ribosomal isolate from E. coli. Native CZE-MS, using accurate single stage and tandem-MS measurements, enabled identification of proteoforms and non-covalent complexes at femtomole levels. This study demonstrates that native CZE-MS can serve as an orthogonal and complementary technique to conventional native MS methodologies with the advantages of low sample consumption, minimal sample processing and losses, and high throughput and sensitivity. This study presents a novel platform for analysis of ribosomes and other macromolecular complexes and organelles, with the potential for discovery of novel structural features defining cellular phenotypes (e.g., specialized ribosomes). .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Calcium Cosalt Addition to Alter the Cation Solvation Structure and Enhance the Ca Metal Anode Performance

Accessing the energy density and sustainability of calcium metal batteries requires mastering reversible calcium electrodeposition through electrolyte design. Several electrolytes support reversible, ambient temperature deposition but at utilization and rate too low for practical applications. These challenges stem from solvation structures characterized by either high barriers for cation desolvation or thermodynamic instability, leading to parasitic decomposition of the salt and solvent. The optimal solvation structure for the effective delivery of calcium to the electrode interface is not known. In this work, we show that adding a relatively small amount of a weakly associating calcium salt (calcium carba-closo-dodecaborate) to an otherwise strongly associated solution (calcium borohydride in tetrahydrofuran) produces a surprising population of fully solvent-coordinated Ca2+ cations in the form of solvent-separated ion pairs (SSIPs). We further demonstrate that the formation of these SSIPs beneficially impacts the kinetics and thermodynamics of calcium electrodeposition, revealing the unexpected finding that direct coordination of Ca2+ by the BH4– anion limits the electrodeposition process. These findings reveal how the competition between solvent and anion coordination to Ca2+ affects calcium deposition kinetics and cycling stability, setting the stage for a new calcium electrolyte design based on mixed anion electrolytes.

Landers, Alan T.↗

Tuning nucleation density of metal island with charge doping of graphene substrate

We have demonstrated that the island nucleation in the initial stage of epitaxial thin film growth can be tuned by substrate surface charge doping. This charge effect was investigated using spin density functional theory calculation in Fe-deposition on graphene substrate as an example. It was found that hole-doping can noticeably increase both Fe-adatom diffusion barrier and Fe inter-adatom repulsion energy occurring at intermediate separation, whereas electron-doping can decrease Fe-adatom diffusion barrier but only slightly modify inter-adatom repulsion energy. Further kinetic Monte Carlo simulation showed that the nucleation island number density can be increased up to six times larger under hole-doping and can be decreased down to ten times smaller under electron doping than that without doping. Our findings indicate a route to tailor the growth morphology of magnetic metal nanostructure for spintronics and plasmonic applications via surface charge doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

CALCULATING ASTEROSEISMIC DIAGRAMS FOR SOLAR-LIKE OSCILLATIONS

With the success of the Kepler and CoRoT missions, the number of stars with detected solar-like oscillations has increased by several orders of magnitude; for the first time we are able to perform large-scale ensemble asteroseismology of these stars. In preparation for this golden age of asteroseismology we have computed expected values of various asteroseismic observables from models of varying mass and metallicity. The relationships between these asteroseismic observables, such as the separations between mode frequencies, are able to significantly constrain estimates of the ages and masses of these stars. We investigate the scaling relation between the large frequency separation, {Delta}{nu}, and mean stellar density. Furthermore we present model evolutionary tracks for several asteroseismic diagrams. We have extended the so-called C-D diagram beyond the main sequence to the subgiants and the red giant branch. We also consider another asteroseismic diagram, the {epsilon} diagram, which is more sensitive to variations in stellar properties at the subgiant stages and can aid in determining the correct mode identification. The recent discovery of gravity-mode period spacings in red giants forms the basis for a third asteroseismic diagram. We compare the evolutionary model tracks in these asteroseismic diagrams with results from pre-Kepler studies of solar-like oscillations and early results from Kepler.

79 ASTRONOMY AND ASTROPHYSICS↗

Efficient light harvesting and photon sensing via engineered cooperative effects

Abstract Efficient devices for light harvesting and photon sensing are fundamental building blocks of basic energy science and many essential technologies. Recent efforts have turned to biomimicry to design the next generation of light-capturing devices, partially fueled by an appreciation of the fantastic efficiency of the initial stages of natural photosynthetic systems at capturing photons. In such systems extended excitonic states are thought to play a fundamental functional role, inducing cooperative coherent effects, such as superabsorption of light and supertransfer of photoexcitations. Inspired by this observation, we design an artificial light-harvesting and photodetection device that maximally harnesses cooperative effects to enhance efficiency. The design relies on separating absorption and transfer processes (energetically and spatially) in order to overcome the fundamental obstacle to exploiting cooperative effects to enhance light capture: the enhanced emission processes that accompany superabsorption. This engineered separation of processes greatly improves the efficiency and the scalability of the system.

42 ENGINEERING↗

Next Generation Solvent Development for Caustic-Side Solvent Extraction of Cesium

This report summarizes the FY 2010 and 2011 accomplishments at Oak Ridge National Laboratory (ORNL) in developing the Next Generation Caustic-Side Solvent Extraction (NG-CSSX) process, referred to commonly as the Next Generation Solvent (NGS), under funding from the U.S. Department of Energy, Office of Environmental Management (DOE-EM), Office of Technology Innovation and Development. The primary product of this effort is a process solvent and preliminary flowsheet capable of meeting a target decontamination factor (DF) of 40,000 for worst-case Savannah River Site (SRS) waste with a concentration factor of 15 or higher in the 18-stage equipment configuration of the SRS Modular Caustic-Side Solvent Extraction Unit (MCU). In addition, the NG-CSSX process may be readily adapted for use in the SRS Salt Waste Processing Facility (SWPF) or in supplemental tank-waste treatment at Hanford upon appropriate solvent or flowsheet modifications. Efforts in FY 2010 focused on developing a solvent composition and process flowsheet for MCU implementation. In FY 2011 accomplishments at ORNL involved a wide array of chemical-development activities and testing up through single-stage hydraulic and mass-transfer tests in 5-cm centrifugal contactors. Under subcontract from ORNL, Argonne National Laboratory (ANL) designed a preliminary flowsheet using ORNL cesium distribution data, and Tennessee Technological University confirmed a chemical model for cesium distribution ratios (DCs) as a function of feed composition. Inter laboratory efforts were coordinated with complementary engineering tests carried out (and reported separately) by personnel at Savannah River National Laboratory (SRNL) and Savannah River Remediation (SRR) with helpful advice by Parsons Engineering and General Atomics on aspects of possible SWPF implementation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Technology Needs for Far-Infrared, Submillimeter, and Millimeter Missions

SAFIR will: Study the important and relatively unexplored region of the spectrum between 30 and 300 m; Enable the study of galaxy formation and the earliest stage of star formation by revealing regions too enshrouded by dust to be studied by NGST; Be more than 100 times as sensitive as SIRTF or the European [Herschel] mission.SAFIR is projected to cost around $600M total. The decadal review committee recommends that $100M be allocated in this decade to start the SAFIR project, and that additional technology developments be funded separately: Far-Infrared Array Development ($10M ) Refrigerators ($50M ) Large, Lightweight Optics ($80M ). Current developments are also described.

Moseley, S. Harvey↗

Demonstration of Robustness and Integrated Operation of a Series-Bosch System

Manned missions beyond low Earth orbit will require highly robust, reliable, and maintainable life support systems that maximize recycling of water and oxygen. Bosch technology is one option to maximize oxygen recovery, in the form of water, from metabolically-produced carbon dioxide (CO2). A two stage approach to Bosch, called Series-Bosch, reduces metabolic CO2 with hydrogen (H2) to produce water and solid carbon using two reactors: a Reverse Water-Gas Shift (RWGS) reactor and a carbon formation (CF) reactor. Previous development efforts demonstrated the stand-alone performance of a NASA-designed RWGS reactor designed for robustness against carbon formation, two membrane separators intended to maximize single pass conversion of reactants, and a batch CF reactor with both transit and surface catalysts. In the past year, Precision Combustion, Inc. (PCI) developed and delivered a RWGS reactor for testing at NASA. The reactor design was based on their patented Microlith® technology and was first evaluated under a Phase I Small Business Innovative Research (SBIR) effort in 2010. The RWGS reactor was recently evaluated at NASA to compare its performance and operating conditions with NASA's RWGS reactor. The test results will be provided in this paper. Separately, in 2015, a semi-continuous CF reactor was designed and fabricated at NASA based on the results from batch CF reactor testing. The batch CF reactor and the semi-continuous CF reactor were individually integrated with an upstream RWGS reactor to demonstrate the system operation and to evaluate performance. Here, we compare the performance and robustness to carbon formation of both RWGS reactors. We report the results of the integrated operation of a Series-Bosch system and we discuss the technology readiness level.

Abney, Morgan B.↗

Design Optimisation and Mass Saving of the Structure of the Orion-MPCV European Service Module

This paper presents an overview of the design optimisation measures that have been proposed and analysed in order to reduce the mass of the structure, including the MMOD (Micro-Meteoroid and Orbital Debris) protection system, of the ESM (European Service Module) for the “Orion” MPCV (Multi-Purpose Crew Vehicle). Under an agreement between NASA and ESA, the NASA Orion MPCV for human space exploration missions will be powered by a European Service Module, based on the design and experience of the ATV (Automated Transfer Vehicle). The development and qualification of the European Service Module is managed and implemented by ESA. The ESM prime contractor and system design responsible is Airbus Defence and Space. Thales Alenia Space Italia is responsible for the design and integration of the ESM Structure and MMOD protection system in addition to the Thermal Control System and the Consumable Storage System. The Orion Multi-Purpose Crew Vehicle is a pressurized, crewed spacecraft that transports up to four crew members from the Earth’s surface to a nearby destination or staging point. Orion then brings the crew members safely back to the Earth’s surface at the end of the mission. Orion provides all services necessary to support the crew members while on-board for short duration missions (up to 21 days) or until they are transferred to another orbiting habitat. The ESM supports the crew module from launch through separation prior to re-entry by providing: in-space propulsion capability for orbital transfer, attitude control, and high altitude ascent aborts; water and oxygen/nitrogen needed for a habitable environment; and electrical power generation. In addition, it maintains the temperature of the vehicle's systems and components and offers space for unpressurized cargo and scientific payloads. The ESM has been designed for the first 2 Lunar orbit missions, EM-1 (Exploration mission 1) is an un-crewed flight planned around mid-2020, and EM-2, the first crewed flight, is planned in 2022. At the time where the first ESM is about to be weighted, the predicted mass lies slightly above the initial requirement. For future builds, mass reduction of the Service Module has been considered necessary. This is being investigated, together with other design improvements, in order to consolidate the ESM design and increase possible future missions beyond the first two Orion MPCV missions. The mass saving study has introduced new optimised structural concepts, optimisation of the MMOD protection shields, and optimised redesign of parts for manufacturing through AM (Additive Manufacturing).

Micro-Meteroids and Orbital Debris Protection Syst↗

Nevada National Security Site Integrated Groundwater Sampling Plan, Revision 1

The purpose is to provide a comprehensive, integrated approach for collecting and analyzing groundwater samples to meet the needs and objectives of the DOE/EM Nevada Program’s UGTA Activity. Implementation of this Plan will provide high-quality data required by the UGTA Activity for ensuring public protection in an efficient and cost-effective manner. The Plan is designed to ensure compliance with the UGTA Quality Assurance Plan (QAP) (NNSA/NFO, 2015); Federal Facility Agreement and Consent Order (FFACO) (1996, as amended); and DOE Order 458.1, Radiation Protection of the Public and the Environment (DOE, 2013). The Plan’s scope comprises sample collection and analysis requirements relevant to assessing both the extent of groundwater contamination from underground nuclear testing and impact of testing on water quality in downgradient communities. This Plan identifies locations to be sampled by CAU and location type, sampling frequencies, sample collection methodologies, and the constituents to be analyzed. In addition, the Plan defines data collection criteria such as well purging, detection levels, and accuracy requirements/recommendations; identifies reporting and data management requirements; and provides a process to ensure coordination between NNSS groundwater sampling programs for sampling analytes of interest to UGTA. Information used in the Plan development—including the rationale for selection of wells, sampling frequency, and the analytical suite—is discussed under separate cover (N-I, 2014) and is not reproduced herein. This Plan does not address compliance for those wells involved in a permitted activity. Sampling and analysis requirements associated with these wells are described in their respective permits and are discussed in NNSS environmental reports (see Section 5.2). In addition, sampling for UGTA CAUs that are in the Closure Report (CR) stage are not included in this Plan. Sampling requirements for these CAUs are described in the CR. Frenchman Flat is currently the only UGTA CAU in the CR stage. Sampling requirements for this CAU are described in Underground Test Area (UGTA) Closure Report for Corrective Action Unit 98: Frenchman Flat Nevada National Security Site, Nevada (NNSA/NFO, 2016).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Lightning danger and advanced warning times obtainable from field mills

The rate of charge moment generation derived from Maxwell current densities at the ground is compared with the rate of charge moment removal by lightning for the initial stages of a small thunderstorm cell. It is shown that the current moment in the cell increased with time at a rate of 4.5 (A m/s) during the first seven minutes following detection of electrical activity on the ground. At the time of the first lightning flash which neutralized 0.48 (kC m) a charge moment of over 8 (kC m) had been separated. Theoretical and practical implications of these measurements are discussed.

Nisbet, John S.↗

Production of oxygen from lunar ilmenite

The kinetics and the mechanism of reduction of synthetic ilmenite by hydrogen in the temperature range of 807 to 1014 C were investigated. At temperatures below 876 C, the temporal profiles of conversion have a sigmoidal shape and indicate the presence of three different stages (induction, acceleration, and deceleration) during the reduction reaction. The apparent activation energy for the reaction is 22.3 kcal/mole, whereas the intrinsic activation energy is 16.9 kcal/mole. Scanning electron microscopy and energy dispersive x-ray analyses show that the diffusion of Fe product away from the reaction front and through the TiO2 phase, followed by the nucleation and growth of a separate Fe phase is an important step affecting the process kinetics. X-ray diffraction and wavelength dispersive x-ray results indicate that the TiO2 can be reduced to lower oxides of titanium at temperatures higher than 876 C.

Shadman, F.↗

Evaluation of CFD Predictions of CobraMRV Control Surface Effectiveness at the NASA Langley Unitary Plan Wind Tunnel

The ability of CFD simulations to serve as a surrogate for wind tunnel testing at high supersonic speeds has been evaluated for a sub-scale model of the Co-Optimization Blunt-body Re-entry Analysis-Mid-lift-to-drag Rigid Vehicle (CobraMRV) human Mars entry vehicle concept. The vehicle was tested at the Unitary Plan Wind Tunnel (UPWT) at the NASA Langley Research Center under flow conditions and surface control configurations relevant to the entry stage of a flight mission. The CFD simulations were performed prior to gaining access to test results in order to assess how blind predictions obtained using best practices compare to experiments. Solutions of empty tunnel simulations were used as inflow boundary condition for the CobraMRV simulations in a truncated portion of the test section. Different solvers and turbulence models were used by separate teams to assess sensitivity to numerical methods, physics, and users. After release of the test results, the pre-test computations were compared to the experimental results, and additional analyses have been conducted to explain observed discrepancies. The amount of time and resources dedicated to each phase of the computational work was logged for comparison to that required for wind tunnel tests, and to inform planning of future CFD data base development projects.

ARMD↗

EXPERIMENTAL METHODS TO ESTIMATE ACCUMULATED SOLIDS IN NUCLEAR WASTE TANKS

The Department of Energy has a large number of nuclear waste tanks. It is important to know if fissionable materials can concentrate when waste is transferred from staging tanks prior to feeding waste treatment plants. Specifically, there is a concern that large, dense particles, e.g., plutonium containing, could accumulate in poorly mixed regions of a blend tank heel for tanks that employ mixing jet pumps. At the request of the DOE Hanford Tank Operations Contractor, Washington River Protection Solutions, the Engineering Development Laboratory of the Savannah River National Laboratory performed a scouting study in a 1/22-scale model of a waste tank to investigate this concern and to develop measurement techniques that could be applied in a more extensive study at a larger scale. Simulated waste tank solids and supernatant were charged to the test tank and rotating liquid jets were used to remove most of the solids. Then the volume and shape of the residual solids and the spatial concentration profiles for the surrogate for plutonium were measured. This paper discusses the overall test results, which indicated heavy solids only accumulate during the first few transfer cycles, along with the techniques and equipment designed and employed in the test. Those techniques include: Magnetic particle separator to remove stainless steel solids, the plutonium surrogate from a flowing stream; Magnetic wand used to manually remove stainless steel solids from samples and the tank heel; Photographs were used to determine the volume and shape of the solids mounds by developing a composite of topographical areas; Laser rangefinders to determine the volume and shape of the solids mounds; Core sampler to determine the stainless steel solids distribution within the solids mounds; Computer driven positioner that placed the laser rangefinders and the core sampler over solids mounds that accumulated on the bottom of a scaled staging tank in locations where jet velocities were low. These devices and techniques were very effective to estimate the movement, location, and concentrations of the solids representing plutonium and are expected to perform well at a larger scale. The operation of the techniques and their measurement accuracies will be discussed as well as the overall results of the accumulated solids test.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

MMIC DHBT Common-Base Amplifier for 172 GHz

Figure 1 shows a single-stage monolithic microwave integrated circuit (MMIC) power amplifier in which the gain element is a double-heterojunction bipolar transistor (DHBT) connected in common-base configuration. This amplifier, which has been demonstrated to function well at a frequency of 172 GHz, is part of a continuing effort to develop compact, efficient amplifiers for scientific instrumentation, wide-band communication systems, and radar systems that will operate at frequencies up to and beyond 180 GHz. The transistor is fabricated from a layered structure formed by molecular beam epitaxy in the InP/InGaAs material system. A highly doped InGaAs base layer and a collector layer are fabricated from the layered structure in a triple mesa process. The transistor includes two separate emitter fingers, each having dimensions of 0.8 by 12 m. The common-base configuration was chosen for its high maximum stable gain in the frequency band of interest. The input-matching network is designed for high bandwidth. The output of the transistor is matched to a load line for maximum saturated output power under large-signal conditions, rather than being matched for maximum gain under small-signal conditions. In a test at a frequency of 172 GHz, the amplifier was found to generate an output power of 7.5 mW, with approximately 5 dB of large-signal gain (see Figure 2). Moreover, the amplifier exhibited a peak small-signal gain of 7 dB at a frequency of 176 GHz. This performance of this MMIC single-stage amplifier containing only a single transistor represents a significant advance in the state of the art, in that it rivals the 170-GHz performance of a prior MMIC three-stage, four-transistor amplifier. [The prior amplifier was reported in "MMIC HEMT Power Amplifier for 140 to 170 GHz" (NPO-30127), NASA Tech Briefs, Vol. 27, No. 11 (November 2003), page 49.] This amplifier is the first heterojunction- bipolar-transistor (HBT) amplifier built for medium power operation in this frequency band. The performance of the amplifier as measured in the aforementioned tests suggests that InP/InGaAs HBTs may be superior to high-electron-mobility (HEMT) transistors in that the HBTs may offer more gain per stage and more output power per transistor.

Paidi, Vamsi↗

Harnessing dimethyl ether with ultra-low-grade heat for scaling-resistant brine concentration and fractional crystallization

Solvent-driven separations may enable scalable concentration of hypersaline brines, supporting a circular resource economy from the extraction of lithium and rare earth elements from spent battery and magnet leachates. This work analyses a novel solvent-driven water extraction (SDWE) system employing dimethyl ether (DME) and ultra-low-grade heat for brine concentration and fractional crystallization. SDWE exploits DME’s unique properties: (1) a low dielectric constant that promotes water solubility over charged solutes by a factor of 10 3 , and (2) a high volatility that facilitate efficient DME reconcentration with ultra-low-grade heat. The techno-economic viability of SDWE is assessed with a computational framework that encompasses a liquid–liquid separator and a solvent concentrator. We integrate the extended universal quasichemical model with the virial equation of state to predict the compositions of the complex three-phase DME-water mixture at vapor–liquid and liquid–liquid equilibrium. Subsequently, we optimize the thermodynamic and economic performance of SDWE, by controlling the interstage flash pressure, heat source temperature, and the number of concentrating stages. DME-based SDWE concentrates an input saline feed to 5.5 M and regenerates over 99 % of the DME using ultra-low-grade heat below 50 °C, with a DME/water selectivity ratio of 125. Here our calculations reveal that optimal performance is achieved at interstage flash pressures of 0.4 – 0.5 bar for heat source temperatures between 323–373 K, with improved exergetic efficiencies at lower temperatures. At a heat source temperature of 323 K and an interstage pressure of 0.489 bar, DME-driven SDWE achieves an optimal thermodynamic efficiency of 20.5 % and a projected specific cost of US$ 1.93 m -3 . These specific costs suggest that SDWE is competitive with commercialized thermal distillation technologies, while mitigating the traditional risks associated with scaling in heat and mass exchangers with hypersaline brines.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗