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DOE OSTI2024

Demonstration of a multi-channel fluidized bed particle–supercritical carbon dioxide heat exchanger for concentrating solar applications

High-temperature thermal energy storage in oxide particles at temperatures above 600°C can couple concentrated solar energy with high-efficiency thermal power cycles to provide dispatchable solar-driven electricity. Challenges remain in developing cost-effective primary heat exchangers, which require expensive alloys, to extract the high-temperature thermal energy from the particles to power cycle fluids, such as supercritical CO 2 (sCO 2 ) in recuperated Brayton cycles. To explore one pathway for cost-effective, high-temperature particle heat exchangers, the current study demonstrates a shell-and-plate, particle–sCO 2 heat exchanger with narrow- channel fluidized beds coupled with micro-channel sCO 2 flows in the heat exchanger walls. This study evaluates the feasibility of multiple parallel, narrow-channel fluidized beds in shell-and-plate particle–sCO 2 HXs, to achieve high bed-wall heat fluxes at elevated temperatures. A reduced-order model simulates the narrow- channel, fluidized-bed particle–sCO 2 heat exchanger to design the fluidized bed geometry, in terms of depth, height, and number of channels,for a nominal 40-kWth heat exchanger at particle and sCO 2 inlet temperatures up to 600 °C and 400 °C respectively. The resulting shell-and-plate heat exchanger design operates with bubbling fluidization of the downward-flowing oxide particles to enhance bed-wall heat transfer. The heat exchanger core is fabricated with etched sCO 2 micro-channels in thin wall plates that are diffusion bonded to spacer frames to form the shell-and-plate structure with 12 parallel, fluidized bed channels, 10.4 mm deep. The heat exchanger is tested at the National Solar Thermal Test Facility at Sandia National Laboratories with CARBOBEAD HSP particles at design particle flow rates of 0.20 kg s –1 and inlet temperatures up to 525 °C. Results show that fluidization across multiple parallel channel beds can maintain uniform particle inventory with a common freeboard zone above the heat exchanger core. Bubbling fluidization improves particle–wall heat transfer coefficients but also increases axial dispersion of particle thermal energy, which lowers the log- mean temperature difference such that total heat transfer remains relatively constant to within ±10% over a broad range of fluidization gas velocities. The axial dispersion required particle and sCO 2 flow rates to be increased by 25% over model-designed conditions to achieve the targeted 40 kWth, which indicates the importance of incorporating axial dispersion into heat exchanger design models and of deploying bed structures to suppress it. Furthermore, this study demonstrates the feasibility and preferred fluidizing gas conditions for particle heat exchangers for releasing high-temperature thermal energy storage systems.

14 SOLAR ENERGY↗

DOE OSTI2026

Mechanistic mass transfer in hollow fiber membrane solvent extraction for bio-based isobutanol

Membrane solvent extraction (MSE) has emerged as a promising method for selectively recovering bioproducts from complex aqueous streams. Bio-isobutanol, a next-generation feedstock for biofuel, remains challenging to recover because of its low concentration and the presence of inhibitory substances. This study explores the potential of hollow fiber (HF) MSE for bio-isobutanol recovery and systematically examines the coupled effects of fiber packing, shell-side flow dynamics, and aqueous chemistry on performance. A resistance-in-series model is applied to understand mass transfer in the HF MSE modules, quantify local resistances, and validate overall performance. The results show that increasing the fiber packing provides a larger interfacial area but induces poor flow distribution and channeling, hindering effective isobutanol transport. Meanwhile, increasing the shell-side velocity improves isobutanol recovery due to reductions in the boundary layer thickness. The presence of salts, added to mimic fermentation broth, increases the partition coefficient through salting-out effects, further improving isobutanol flux. A modified correlation for the shell-side mass transfer coefficient (k s,ϕ+v ), integrating geometric and hydrodynamic effects, was developed and validated. The proposed model achieves highly predictive accuracy (r 2 = 0.9808) across a wide range of conditions, outperforming previous models. The findings provide mechanistic insight into the interaction of geometric packing, hydrodynamics, and chemistry in governing mass transfer in HF MSE. Overall, this work demonstrates the potential of HF MSE for efficient bio-isobutanol recovery and also provides practical guidelines on critical factors (packing fraction, partition coefficient, and shell-side velocity), aiding in the design and scaling of MSE systems for resource recovery.

Aqueous chemistry↗

DOE OSTI2025

Unraveling the solvation phenomena of Ln 3+ cations in room-temperature ionic liquids: A computational study

Rare-earth elements (REEs), classified as critical materials, are difficult to separate due to their similar chemical properties and slight differences in ionic radius. Room-temperature ionic liquids (RTILs) have gained significant attention for REE separation because of their unique physicochemical properties and environmental advantages. In this study, we have investigated the solvation mechanisms of two RE cations (Ln 3+ ), Nd 3+ (light REE) and Yb 3+ (heavy REE), in two 1-butyl-3-methylimidazolium ([BMIM] + )-based RTILs using bis(trifluoromethylsulfonyl)imide ([NTf 2 ] − ) and acetate ([OAc] − ) as the respective anions, employing classical molecular dynamics (MD) simulations and density functional theory (DFT) techniques. From MD simulations, it is evident that Ln 3+ cations are primarily solvated by RTIL anions in the first solvation shell, while [BMIM] + cations form the second solvation shell with their numbers depending on the size and composition of the first solvation shell. The neutralizing [NO 3 − ] counterions are mainly solvated by [BMIM] + cations in their first solvation shell. Relative free energy change of solvation calculations using thermodynamic integration (TI) method indicate that Yb 3+ is more strongly solvated than Nd 3+ in both RTILs, a trend further supported by DFT calculations. While both methods predict consistent qualitative behavior, differences in models and energy evaluations lead to variations in absolute values. Overall, this study provides a comprehensive understanding of the solvation behavior of Ln 3+ cations in RTILs, demonstrating a stronger solvation preference for the heavy Ln 3+ cation (Yb 3+ ). In conclusion, these findings have implications for the design of RTIL-based separation processes for REEs.

Ash, Tamalika [Ames Lab., and Iowa State Univ., Am↗

DOE OSTI2025

Electronic Structure of the Au Nanoparticle-TiO 2 Heterojunction: Influence of Nanoparticle Size, Shape, Oxygen Vacancies, and Temperature

The electronic structure of the gold nanoparticle-titanium dioxide (AuNP-TiO 2 ) heterojunction plays a critical role for charge transfer and recombination dynamics that underpin its photocatalytic function. However, building a representative model to capture the key physics remains a significant challenge. Here, we investigate the influence of the AuNP size and shape, as well as oxygen vacancy (V O ) defects at the anatase-phase TiO 2 (101) surface and the temperature of the heterojunction, on its interfacial electronic properties. Using density functional theory (DFT), we compare the closed-shell Au 20 and open-shell Au 19 clusters interfaced with pristine and V O defect TiO 2 surfaces. We find that the presence of a V O defect transforms pure TiO 2 from a p-type to an n-type semiconductor, reversing the interfacial band bending from downward to upward. For the heterosystem, density of states (DOS) analysis shows that V O minimally affects the open-shell Au 19 -TiO 2 system, but it significantly alters the closed-shell Au 20 -TiO 2 system, converting it from p-type to n-type at the Γ-point at 0 K. Furthermore, ab initio molecular dynamics (AIMD) simulations at 300 K reveal significant thermal fluctuations in AuNP positions relative to the TiO 2 surface. These fluctuations result in dynamic variations in the gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) in all systems studied: Au 19 NP-Pristine TiO 2 , Au 20 NP-Pristine TiO 2 , Au 19 NP-V O defect TiO 2 , and Au 20 NP-V O defect TiO 2 . Complementary Bader charge analysis performed at both 0 K and finite-temperature AIMD snapshots supports the emergence of an upward band bending and the formation of a Schottky barrier at the V O containing heterojunctions. Notably, we find that at finite temperature, an Au atom can dynamically passivate the V O , leading to a pronounced widening of the HOMO-LUMO gap in the AuNP-V O defect TiO 2 heterojunctions. Our computational findings underscore the pivotal role of the V O defect and thermal effects in modulating interfacial band alignment, electronic states, and HOMO-LUMO gaps, providing insights for designing Au-TiO 2 heterojunctions with tailored electronic properties.

Mora Perez, Carlos [Lawrence Berkeley National Lab↗

DOE OSTI2024

CO 2 Capture with Capsules of Ionic Liquid/Amines

Carbon capture remains an urgent issue that has gained a great deal of attention over the past few decades. Aqueous amines have excellent selectivity, but present corrosion and volatility issues, whereas ionic liquids (ILs) have negligible volatility and tunable physical properties, but high viscosities. One approach to improve the practical performance of these liquids is encapsulating them in a CO 2 permeable polymer shell to enhance the accessibility of the liquid and the CO 2 absorption rate. In this work, we report the encapsulation of a mixture of amine and IL (i.e., monoethanolamine (MEA) and 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF 4 ])) and demonstrate enhanced carbon capture performance. A soft-template approach and interfacial polymerization are used to give capsules with liquid core (64 wt %) and polyurea shell. Compared to the bulk liquid, the encapsulated liquid shows improved thermal stability over cycles of absorption at 25 °C, and desorption at 75 °C. The capsules with core of [BMIM][BF 4 ]-MEA show 0.2 mol CO 2 /kg of capsules at 1 bar CO 2 , compared to the bulk liquid, which has 0.05 mol CO 2 /kg of sorbent. This is attributed to the limited evaporation of the amines. Alternatively, the same capsules but with 5 wt % of piperazine (Pz) in the core have doubled gravimetric CO 2 capacity of the capsules (0.4 mol CO 2 /kg of capsules); performance is evaluated over 10 capture–release cycles showing minimal mass loss. Characterization of the CO 2 uptake of the polymer shell itself reveals that the shell contributes only ~10% of the observed capacity, likely attributed to amine functionalities of the polymer. Here, this facile approach to encapsulating such “active” liquids can be applied to other CO 2 selective solvents that are volatile, viscous, and corrosive.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Tracking Optical Phonon Dynamics in InP Nanocrystals via Transient Absorption and Femtosecond Stimulated Raman Spectroscopy

Semiconductor nanocrystals (NCs) offer actualized and prospective utility in optoelectronic technologies, yet key aspects of their thermal and vibrational behaviors remain unresolved. Compared with bulk crystals, heat dissipation involving NCs can differ substantially owing to pervasiveness of interfacial scattering, phonon confinement, and relaxed phonon momentum selection rules, as well as influences of ligands. Here, in addition to transient absorption, we use femtosecond stimulated Raman spectroscopy to track nonequilibrium optical-phonon dynamics in InP NCs capped with myristic acid ligands and compare the same particles coated with a ZnS shell. We identify distinct phonon decay pathways in ligand-capped versus ZnS-shelled NCs. Increasing the excitation density and introducing the ZnS shell measurably modify optical-phonon lifetimes, whereas phonon formation times remain largely unchanged. In addition, we observe phonon mode softening in ligand-capped nanocrystals, consistent with lattice expansion. Together, these results demonstrate that core–shell structures can strongly govern nanocrystal thermal dissipation pathways and should be considered a key design parameter for optoelectronic operation.

dissipation↗

DOE OSTI2024

The effect of low temperature on poly(3-methyl- N -vinylcaprolactam)- b -poly( N -vinylpyrrolidone) diblock copolymer nanovesicles assembled from all-aqueous media

Nanosized polymeric vesicles (polymersomes) self-assembled from double hydrophilic copolymers of poly(3-methyl-N-vinylcaprolactam) n -b-poly(N-vinylpyrrolidone) m (PMVC n -b-PVPON m ) using all aqueous media are a promising platform for biomedical applications, because of their superior stability over liposomes in vivo and high loading capacity. Herein, we explored the temperature-sensitive behavior of PMVC 58 -b-PVPON 65 vesicles using transmission electron microscopy (TEM), dynamic light scattering (DLS), atomic force microscopy (AFM), and small-angle neutron scattering (SANS) in response to lowering the solution temperature from 37 to 25, 20, 14 and 4 °C. The copolymer vesicles with an average size of 350 nm at 37 °C were assembled from the diblock copolymer dissolved in aqueous solution at 4 °C. We show that while the polymersome's size gradually decreases upon the temperature decrease from 37 to 4 °C, the average shell thickness increases from 17 nm to 25 nm, respectively. SANS study revealed that the PMVC 58 -b-PVPON 65 vesicle undergoes a gradual structure evolution from a dense-shell vesicle at 37–25 °C to a highly-hydrated shell vesicle at 20–14 °C to molecular chain aggregates at 4 °C. From SANS contrast matching study, this vesicle behavior is found to be driven by the gradual rehydration of PMVC block at 37–14 °C. The shell hydration at 20–14 °C also correlated with the 4.4-fold decrease in the relative fluorescence intensity from vesicle-encapsulated fluorescent dye, indicating ~80% of the dye release within 12 hours after the vesicle exposure to 14 °C. No significant (<5%) dye release was observed for the vesicle solutions at 37–20 °C, indicating excellent cargo retention inside the vesicles. Our study provides new fundamental insights on temperature-sensitive polymer vesicles and demonstrates that the copolymer assembly into polymersomes can be achieved by decreasing a copolymer aqueous solution temperature below 14 °C followed by solution exposure to ≥20 °C. This type of all-aqueous assembly, instead of nanoprecipitation from organic solvents or solvent exchange, can be highly desirable for encapsulating a wide range of biological molecules, including proteins, peptides, and nucleic acids, into stable polymer vesicles without a need for organic solvents for dissolution of the copolymers that are amphiphilic at physiologically relevant temperatures of 20–37 °C.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Generating forces in confinement via polymerization

Understanding how to produce forces using biomolecular building blocks is essential for the development of adaptive synthetic cells and living materials. Here we ask whether a dynamic polymer system can generate deformation forces in soft shells by pure self-assembly, motivated by the fact that biological polymer networks like the cytoskeleton can exert forces, move objects, and deform membranes by simply growing, even in the absence of molecular motors. We address this question by investigating polymer force generation by varying the release rate, the structure, and the interactions of self-assembling monomers. First, we develop a toy computational model of polymerization in a soft elastic shell that reveals the emergence of spontaneous bundling which enhances shell deformation. We then extend our model to account more explicitly for monomer binding dynamics. We find that the rate at which monomers are released into the interior of the shell is a crucial parameter for achieving deformation through polymer growth. Lastly, we demonstrate that the introduction of multivalent particles that can join polymers can either improve or impede polymer performance, depending on the amount and on the structure of the multivalent particles. Our results provide guidance for the experimental realization of polymer systems that can perform work at the nanoscale, for example through rationally designed self-assembling proteins or nucleic acids.

Osmanović, Dino [University of California at Los A↗

DOE OSTI2024

Neutron-producing gas puff Z-pinch experiments on a fast, low-impedance, 0.5 MA linear transformer driver

A study on the neutron production from single and double gas puff Z-pinches on the CESZAR linear transformer driver with ~0.45 MA current and 170 ns rise time is presented. Total neutron yield measurements made with a LaBr activation detector are compared for three configurations, using a double nozzle setup. When a single, hollow, deuterium gas shell was used, reliable implosions could only be attained at higher load mass than the optimal value to match implosion time with the driver rise time, with neutron yields of ~10 6 per pulse. The use of a double gas puff configuration with a deuterium center jet allowed a reduction in the shell density and operation closer to machine-matched conditions, recording up to (4.1 ± 0.3) × 10 7 neutrons/pulse when either Kr or D 2 was used in the shell. For a comparable mass and implosion time, using a higher atomic-number gas in the outer shell results in more unstable plasma surface and smaller plasma radius at the location of instability bubbles, which, however, do not seem to consistently correlate with a higher neutron yield. Comparing implosion dynamics with models and neutron yields with literature scaling suggests that the machine current is not well coupled to the plasma during the final stages of compression. Optimizing current and energy coupling to the pinched plasma is critical to improving performance, particularly in low-impedance drivers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Size-dependent second-order-like phase transitions in Fe nanocluster melting from low-temperature structural isomerization

Here, in this work, the melting phase transitions of Fe n nanoclusters with 10 ≤ n ≤ 100 atoms are investigated using classical many-body molecular dynamics simulations. For many cluster sizes, surface melting occurs at much lower temperatures than core melting. Surface and core melting points and energetic melting points (temperatures of maximum heat capacity, C v ) are calculated for all cluster sizes. Melting properties are found to be strong functions of cluster structure. Cluster sizes with closed-shell structures always have first-order-like phase transitions. Almost one-third of cluster sizes in the analyzed range exhibit second-order-like phase transitions due to the presence of multiple structural configurations close in energy. 1-shell clusters with one to a few more atoms than a neighboring closed-shell structure have very low surface melting points and very high energetic melting points compared to their closed-shell counterparts. In clusters above 50 atoms with certain core structures, melting of the surface before the core was observed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Constraining hydrodynamic models of inertial confinement fusion implosions using capsule surrogate experiments

We conduct capsule surrogate experiments at the National Ignition Facility to calibrate radiation hydrodynamic simulations to infer hydrodynamic conditions that are not observable in indirect drive ignition implosions. We tune the simulations by applying laser power and cross beam energy transfer (CBET) saturation multipliers to match the observables from capsule surrogate experiments. Shock timing, velocity, and symmetry are measured in liquid D 2 filled Keyhole capsule surrogate experiments and implosion trajectory, stagnation time, and shape time history are measured in in-flight 2D backlit x-ray radiography experiments (“2DConA”) of D 2 gas filled capsule implosions. Calibrated simulations suggest that the N210808 ignition implosion (fusion target gain = 0.7) had a shell mass remaining at stagnation of less than the nominal %5 (3.8%) and resulted in less confinement. For N221204, the shell was made 5.75 μm thicker to trade implosion velocity for increased confinement and resulted in a target gain = 1.5 with a shell mass remaining of 5.7%. Furthermore, a single adjusted model can reproduce all shock timing data as changes are made to shell thickness (79–85 μm) and laser wavelength separation (1.8–4.0 Å). However, for the 2DConA implosions, a 5% variation in the peak power laser multipliers and a 30% variation in late-time CBET between experiments are needed to match the observed stagnation times, in-flight $P_2$ shape, and hot-spot $P_2$ shape. While progress is being made to improve the models in simulations using focused experiments, capsule surrogate experiments will continue to be needed to optimize future ignition designs.

Lasers↗

DOE OSTI2024

First high-resolution γ-ray spectroscopy of 41 Si

The first high-resolution in-beam γ -ray spectroscopy is reported for the neutron-rich nucleus 41 Si, a tenant of the N = 28 island of inversion. Excited states were populated in the direct one-proton removal reaction from 42 P projectiles and pn removal from 43 P. Seven γ-ray transitions were observed, only one of which had been reported previously in the literature. Furthermore, this makes 41 Si the most neutron-rich odd-even N = 27 isotone with high-resolution excited-state information. For the one-proton removal, the measured partial cross-section distribution to all observed bound final states is contrasted with results from direct one-proton removal calculations that combine eikonal reaction dynamics with SDPF-MU shell-model spectroscopic factors and assume various possible initial states for the poorly known 42 P projectile. Rather distinct calculated cross-section distributions emerge that, in comparison to the new data, imply that the initial state in 42 P is most likely 3 – or 2 – rather than 1 – or 0 – , the predicted shell-model ground state of 42 P. It is further shown that the level scheme from the novel VS-IMSRG calculation closely agrees with the one of SDPF-MU, the most successful phenomenological shell-model effective interaction in describing the much discussed neighboring isotope 42 Si, perhaps cross-validating these complementary approaches on the quest to model rapid shell evolution away from the valley of β stability.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Heterogeneous flexibility can contribute to chromatin segregation in the cell nucleus

The highly and slightly condensed forms of chromatin, heterochromatin and euchromatin, respectively, segregate in the cell nucleus. Heterochromatin is more abundant in the nucleus periphery. Here, in this work, we study the mechanism of heterochromatin segregation by modeling interphase chromosomes as diblock ring copolymers confined in a rigid spherical shell using molecular dynamics simulations. In our model, heterochromatin and euchromatin are distinguished by their bending stiffnesses only, while an interaction potential between the spherical shell and chromatin is used to model lamin-associated proteins. Our simulations indicate that in the absence of attractive interactions between the nuclear shell and the chromatin, most heterochromatin segregates towards the nuclear interior due to the depletion of less flexible heterochromatin segments from the nuclear periphery. This inverted chromatin distribution, which is opposite to the conventional case with heterochromatin dominating at the periphery, is in accord with experimental observations in rod cells. This “inversion” is also found to be independent of the heterochromatin concentration and chromosome number. The chromatin distribution at the periphery found in vivo can be recovered by further increasing the bending stiffness of heterochromatin segments or by turning on attractive interactions between the nuclear shell and heterochromatin. Our results indicate that the bending stiffness of chromatin could be a contributor to chromosome organization along with differential effects of HP ⁢1⁢𝛼-driven phase segregation and of loop extruders and interactions with the nuclear envelope and topological constraints.

biomolecular & subcellular processes↗

DOE OSTI2026

As above, not so below: Ion fractionation in planetary analog ices

The geophysical evolution and astrobiological potential of ocean worlds are indelibly linked to the chemical compositions of their oceans and ice shells. In the absence of direct measurements, empirical estimates of subsurface ocean compositions have relied on the assumption that the ionic compositions of ice shell surfaces are representative of their underlying ocean compositions. Here, we present experimental results demonstrating that ion fractionation—the differential entrainment of ion species in forming ices—is likely a prevalent process on ocean worlds, suggesting that planetary ice shell compositions do not directly reflect their underlying ocean compositions. We measure in-ice depletions and amplifications of relative ion concentrations ranging between −40 and +77%, compared to the parent fluid composition. Although this may complicate the interpretation of spacecraft data, ion fractionation provides a mechanism for generating compositionally diverse ices that could help explain the geological complexity of planetary ice shells.

58 GEOSCIENCES↗

DOE OSTI2024

DRIFT: Diffusivity Regulation of Isotopes by nanoconFinementT

Spontaneous isotope fractionation has been reported under nanoconfinement conditions in naturally occurring systems, but the origin of this phenomena is currently unknown. Two existing hypotheses have been proposed, one based on changes in the solvation environment of the isotopes that reduces the non-mass dependent hydrodynamics contribution to diffusion. The other is that isotopes have mass-dependent surface adsorption, varying their total diffusion through nanoconfined channels. To investigate these hypotheses, benchtop experiments, nuclear magnetic resonance (NMR) spectroscopy, and molecule scale modeling were applied. Classical molecular dynamics simulations identified that the Na + and Cl - hydration shells across the three different salt solutions ( 22 Na 35 Cl, 23 Na 35 Cl, 24 Na 35 Cl) did not vary as a function of the Na + isotope, but that there was a significant pore size effect, with larger hydration shells at larger pore sizes. Additionally, while total adsorption times did not vary as a function of the Na + isotope or pore size, the free ion concentration, or those adsorbed on the surface for <5% of the simulation time did exhibit isotope dependence. Experimentally, challenges occurred developing a repeatable experiment, but NMR characterization of water diffusion rates through ordered alumina membranes was able to identify the existence of two distinct water environments associated with water inside and outside the pore. Further NMR studies could be used to confirm variation in hydration shells and diffusion rates of dissolved ions in water. Ultimately, mass-dependence adsorption is a primary driver of variations in isotope diffusion rates, rather than variation in hydration shells that occur under nanoconfinement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Deer Park Energy Center Natural Gas Combined Cycle Carbon Capture System Front-End Engineering Design Study (Final Scientific/Technical Report – Unlimited)

Calpine Texas CCUS Holdings, LLC (Calpine), Shell Catalysts & Technologies (SCT), Technip Energies (TEN), and Sargent & Lundy, LLC (S&L) have conducted a Front-End Engineering Design (FEED) Study to integrate a new carbon capture system at Calpine’s Deer Park Energy Center (DKEC). The DKEC facility is a nominal 1200 MW gas-fired co-generation power plant situated at the Shell Chemical Manufacturing (Shell) Facility located in Deer Park, Texas. Steam is produced for use by the adjacent Shell Chemical Manufacturing Facility as well as by the onsite steam turbine for electrical generation. The power output from DKEC is provided to the Electric Reliability Council of Texas (ERCOT) operated power grid. DKEC provides power to industrial and commercial customers via this interconnection.

03 NATURAL GAS↗

DOE OSTI2025

Gas-Gap Calorimeter Sizing and Rating Tools for Heat Pipe Experimentation

Effective gas-gap calorimeter sizing and rating tools are required to design calorimeters that enable well-defined operating conditions, high cooling powers, and accurate calorimetry. The present report describes two tools utilizing Microsoft Excel and MathWorks MATLAB that enable the sizing and rating of gas-gap calorimeters with a He-Ar binary gas mixture in the gap. The Excel tools are two easy-to-use spreadsheets for calculating heat pipe operating temperature or He-Ar mole fractions given the required inputs. The MATLAB tool includes similar models with more robust solution algorithms along with sub-options for full-vacuum, static gas-gap, and forced circulation in the gas-gap. The accuracy of the developed tools were demonstrated by comparing with existing work in literature. The MATLAB tool was used for a parametric study to determine the gas-gap thickness, coolant gap thickness, coolant flow rate, and coolant inlet temperatures for the testing of a 3/4 in outer diameter heat pipe up to powers of 10 kW and temperatures of 1,000°C. The effects of heat pipe and calorimeter inner shell surface emissivities were investigated, considering the inability to control or accurately measure surface emissivities in most applications. It was found that controlling the He-Ar mole fractions provides a wide operating range for gas-gap thicknesses around ~ 0.042--0.090 in (~ 1.07--2.29 mm) for a surface emissivity range of 0.4--0.8, since conduction heat transfer is a significant fraction of the heat transfer across the gas-gap. In addition, it was found that turbulent flow in the coolant gap is needed at high input powers to prevent shell temperatures from approaching the boiling temperature of the water coolant. The parametric study resulted in choosing stainless steel tubes with an outer diameter and thickness of 1 x 0.065 in as the inner shell, and a 1-1/2 x 0.156 in as the outer shell of the calorimeter. Overall, this report presents the necessary information for the sizing and rating of gas-gap calorimeters with He-Ar mixtures for the testing of high-temperature heat pipes (~ 500--1,000°C).

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Evaluating Polymer Properties with Different Additives for Carbon Capture and Other Applications

Anthropogenic climate change is one of this generation’s most pressing concerns, with the potential to completely alter the delicate balance we’ve struck with nature. Already, global temperatures have risen 1.29°C, leading to disrupted weather systems, extinctions, increased risks of wildfires, and sea level rise, to name a few effects. Carbon dioxide emission from the combustion of fossil fuels and other industrial activity is a large driver of this phenomenon, as it absorbs heat before it can be radiated away from Earth, trapping it. Carbon dioxide has reached unprecedented levels in our atmosphere, showing a 50% increase from preindustrial averages to a whopping 430 ppm. Thus, reducing the amount of carbon dioxide via carbon capture technology is an important endeavor that serves to benefit everyone. The Microencapsulated CO 2 Sorbent (MECS) team at Lawrence Livermore National Laboratory (LLNL) has turned to microencapsulation to approach this endeavor. Microcapsules provide an attractive approach to carbon capture, combining large surface areas for more efficient mass transfer, regenerative abilities, reduced solvent loss, and improved handling. Additionally, while existing carbon capture technology relies on industrial plants, capsules could present a modular approach to carbon capture, reducing the need for extensive physical infrastructure. The MECS team’s design consists of a polymer membrane that contains a liquid carbon sequestering sorbent, aqueous sodium carbonate. The carbon capturing reaction occurs in three distinct steps, the first of which is the dissolution of carbon dioxide into the sorbent solution and its conversion into carbonic acid (H 2 CO 3 ), shown in equations 1 and 2 respectively. Because this step hinges upon the ability of carbon dioxide to reach the solution inside the capsule, it is necessary that the microcapsule shell is permeable to carbon dioxide gas. The MECS team produces these microcapsules using the in-air droplet encapsulation apparatus (IDEA) shown in figure 1, which can produce uniform micron-scale droplets at speeds much faster than traditional single-dispersal microfluidic-based techniques. The IDEA Is 100 times faster than these current techniques and can reach up to 1000 times their speed when incorporating a multi-nozzle design. Additionally, because droplets are produced in-air via vibration, IDEA can decrease post-processing times and material waste by 99% and can fabricate microgels that are 10 to 100 times more viscous than can be produced via traditional microfluidics. While this design represents a breakthrough in the throughput, efficiency, and tunability of microcapsule production, it imposes a major constraint on the microcapsule curing process. Because microcapsule shells are crosslinked with UV light while falling 30 cm through the air, this gives them a reaction window of approximately 0.2 seconds. Thus, the system and shell formulations must be optimized such that the shells can be fully crosslinked within this very narrow window, prompting investigations into curing behavior.

36 MATERIALS SCIENCE↗