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At least 1,027 records · Page 57

Thermal energy of a charm-meson molecule in a pion gas

The thermal corrections to the propagator of a loosely bound charm-meson molecule in a pion gas are calculated to next-to-leading order in the heavy-meson expansion using a zero-range effective field theory. Ultraviolet divergences in the charm-meson-pair self energy are canceled by corrections to the charm-meson-pair contact vertex. Terms that are singular at the charm-meson-pair threshold can be absorbed into thermal corrections to the rest energies and kinetic masses of the charm-meson constituents. The remaining terms reduce to a thermal correction to the binding momentum that is proportional to the pion number density and suppressed by the pion/charm-meson mass ratio. The correction gives a tiny decrease in the binding energy of the charm-meson molecule relative to the charm-meson-pair threshold in the pion gas and a change in its thermal width that is small compared to the thermal widths of the charm-meson constituents. These results are encouraging for the prospects of observing X(3872) and $T$$^{+}_{cc}$ (3875) in the expanding hadron gas produced by heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Correction to: Investigating the rheology of fluidized and non-fluidized gas-particle beds: implications for the dynamics of geophysical flows and substrate entrainment

We report natural geophysical mass flows are among the most complex granular systems and their dynamics are often modified by the presence of an interstitial fluid. Prediction of their runout requires the development of models estimating the solid stresses in these hazardous currents wherein excess pore-fluid pressure can develop. We use discrete element modelling (DEM-CFD) with a Coarse-Graining post-processing technique (CG) to investigate the rheology of unsteady gas-particle fluidized to non-fluidized granular beds placed on horizontal and inclined planes. Similar to fluidized beds immersed in viscous fluids, the effective friction coefficient of air-fluidized beds can be defined as a function of the classic μ(I)-rheology and the non-dimensional fluid or solid pressure to explain the failure and dynamics of granular flows with excess pore pressure on inclines. However, dilation imposed by fluid drag and particle collisions in gas-particle fluidized beds can drastically change its effective frictional properties. In contrast with the common assumption in water-particle flows that granular temperature is negligible, in our gas-particle simulations, the contribution of the velocity fluctuations to the stress tensor is significant. Hence, the shear stress is found to be non-zero even when the flow is fully fluidized in the inertial regime. These results suggest the need to better understand velocity fluctuations to predict the effective viscosity of sheared fluidized mixtures and are relevant for many applications. Notably, a unified approach is useful for many geophysical flows that encompass a range of fluidization conditions in a single flow such as pyroclastic density currents and snow avalanches.

58 GEOSCIENCES↗

All-aerosol-jet-printed highly sensitive and selective polyaniline-based ammonia sensors: a route toward low-cost, low-power gas detection

In this work, we report the design and scalable fabrication of a low-cost and low-power polyaniline-based (PANI) ammonia (NH3) gas sensor on polyimide (PI) substrates using additive manufacturing techniques. The silver interdigitated electrode (IDE) arrays and conducting polymer films are printed onto PI using a direct-write technology of aerosol-jet printing. Morphological characteristics are examined by scanning electron microscopy and energy-dispersive X-ray analysis which reveal homogeneously printed PANI film on the IDE platform. The gas sensing performance is evaluated in the analytical early leak detection range of 5–1000 ppm NH3 in air as a function of both thermal (23 °C, 50 °C, 80 °C) and relative humidity (RH = 0%, 30%, 50%) exposures. The sensor exhibits sensitivity down to 5 ppm NH3 with a sub-ppm detection limit and good repeatability. We observe rapid NH3 detection at 0% RH with very extended times for equilibration and recovery. However, at both 30 and 50% RH, the room temperature response and recovery times are reduced to only about 1 min and 5 min, respectively. Experiments also reveal good sensitivity toward the analyte even at higher operating temperatures. Present results merit the practical application of aerosol-jet-printed, low-power sensors for industrial applications where low-level hazardous gas detection is essential.

36 MATERIALS SCIENCE↗

Carrier gas attenuation in gamma assay of radioactive xenon samples

Gamma attenuation attributable to xenon and carbon dioxide carrier gas in radioactive xenon assay samples has been calculated using Monte Carlo n-Particle (MCNP) transport code for the 0.65 mL flame sealed ampoule (bean), and 15 mL and 50 mL Schlenk tube geometries. The attenuation was correlated as a % loss per standard mL of carrier gas. In this work, high Purity Ge gamma spectroscopy experiments were performed to measure against the MCNP results. The experimental results from the 133 Xe in xenon carrier gas in a bean geometry showed 0.97 ± 0.4% loss per standard mL xenon, which was in agreement with the MCNP predictions.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Explosive Byproduct Gas Transport Through Sorptive Geomedia

Current underground nuclear explosion (UNE) detection strategies rely heavily on atmospheric noble gas sampling of radioxenon. However, discriminating nuclear weapons testing programs from civilian sources is difficult due to highly variable atmospheric radioxenon backgrounds and processes affecting subsurface transport of parent radionuclides. Here, we aim to study the transport of gases produced by subsurface explosions as novel stable signatures for underground nuclear explosion (UNE) monitoring. These gases may be produced in large quantities with distinct molecular ratios, which will be impacted by subsurface transport processes. To demonstrate how ratios of gases produced by explosions can change during transport in geomaterials, we conducted laboratory benchtop experiments on the transport of carbon dioxide (CO 2 ) and hydrogen (H 2 ) gases through variably saturated zeolitic tuff, which is abundant at the historic US testing site. We observed that zeolitic tuff sorbs substantial quantities of CO 2 while allowing H 2 to transport more freely, leading to changes in the molecular ratios of the two gases along the transport pathway. Gas uptake in the dry zeolitic tuff core was 72.3% for CO 2 , compared with 53.4% for xenon and 7.6% for H 2 . The presence of 20% water saturation disrupted the CO 2 sorption process, though to a lesser extent than observed for noble gases, with a 36.7% drop in xenon sorption compared with a 21.9% drop for CO 2 . These results represent the first observations of zeolite sorption altering explosive gas ratios during transport through geomedia relevant to nuclear proliferation monitoring.

54 ENVIRONMENTAL SCIENCES↗

Mechanisms and Kinetics of Reduction of Solid NiO in CO/CO{sub 2} and CO/Ar Gas Mixtures

Experimental studies have been carried out on the reduction of dense nickel oxide in CO/CO{sub 2} and CO/Ar gas mixtures at temperatures between 873 K and 1273 K (600 °C and 1000 °C). Examination of the nickel product microstructures of partially reduced samples has been undertaken using high-resolution scanning electron microscopy. It has been shown that the reduction can result in the formation of a dense nickel layer at the sample surface, continuous gas pore growth in the NiO, or the discontinuous growth of the porous nickel product. The product morphologies formed, and the microstructures of the gas/metal oxide/metal interfaces, are functions of reaction temperature and gas conditions. The microstructural and kinetic evidence indicates direct links between the reduction rates, nickel product growth mechanisms, and product microstructures.

36 MATERIALS SCIENCE↗

Temperature-induced changes in the synthesis gas composition in a high-temperature H 2 O and CO 2 co-electrolysis system

Solid oxide electrolysis cell (SOEC) is an attractive renewable technology capable of producing synthesis gas (H 2 + CO) from H 2 O and CO 2 . An SOEC consists of a solid oxide electrolyte and two ceramic or metal-ceramic electrodes. H 2 O and CO 2 are electrolyzed at the cathode producing H 2 and CO, releasing O 2- ions, which travel through the electrolyte to the anode side and recombine to produce pure oxygen gas as the byproduct. In the present study, a La 0.7 Sr 0.2 Ni 0.2 Fe 0.8 O 3 cathode was used to co-electrolyze H 2 O and CO 2 at three different operating temperatures- 700 °C, 750 °C and 800 °C. Synthesis gas was produced at all three operating temperatures with 100% Faradaic efficiency. The composition of the syngas, however, was found to be a function of the operating temperature. In general, the H 2 /CO ratio in the syngas decreased with increased temperature. This was partially due to CO 2 electrolysis becoming more favorable compared to H 2 O electrolysis at higher temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Disentangling interlayer confinement and pore surface adsorption in functionalized smectites for tunable ethylene gas capture

Smectite-based adsorbents are increasingly being studied as sustainable packaging materials for scavenging ethylene, a plant hormone that accelerates fruit ripening. However, the mechanisms governing their uptake and retention remain poorly understood. Here, to tackle this question we systematically investigate ethylene gas-solid interactions in pristine, acid-activated, and choline-functionalized montmorillonites using a complementary combination of structural, gravimetric, and spectroscopic techniques, including inelastic neutron scattering. We experimentally distinguish ethylene populations associated with interlayer confinement, mesopore, and external surface adsorption. We show that chemical functionalization distinctly controls adsorption pathways: acid activation enhances total uptake by generating mesoporous adsorption sites and promoting partial interlayer intercalation, yielding capacities comparable to those of leading smectite-based adsorbents, while choline functionalization promotes preferential confinement and stabilization of guest molecules within the interlayer galleries. Advanced spectroscopic analysis provides molecular-level insight into confinement environments and interaction strengths. We also establish clear structure-property relationships by correlating uptake values derived from independent techniques, linking chemical modification, accessible adsorption domains, and retention behavior. These findings provide general design principles for tuning gas-solid interactions in functionalized layered silicates and highlight their potential as adaptable platforms for sustainable ethylene gas capture and selective adsorption technologies.

Ethylene adsorption mechanism↗

Modeling gas release from a Bingham plastic slurry and deconvoluting measured data

Physics-based models for predicting the off-gassing characteristics of agitated slurries are presented. This approach decomposes the system into two separate but coupled slurry and headspace models. The physics driving bubble transport through the slurry and gas mixing within the headspace are discussed. An analytical expression for predicting the time evolution of the headspace concentration using first principles theory is also presented. Predictions from the numerical models, as well as expectations from the analytical solution, both agree with measured off gassing data for two different experimental operating conditions. After benchmarking the numerical model predictions against experimental data, the model was used to make predictions for gas release from a full-scale vessel and to perform sensitivity analyses to examine the sensitivity of gas release to parameters such as yield stress, consistency index, slurry density, bubble size, bubble concentration, and impeller speed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantifying the anion effect of gas solubility within ionic liquids using the solvation affinity index

The solubility of gas molecules within ionic liquids (ILs) is strongly dictated by the anion effect and the free volume effect, and of these two influences, the anion effect can be challenging to predict. We evaluate a wide range of different gas solutes (O 2 , NH 3 , CH 4 , H 2 S, SO 2 , Ar, H 2 , N 2 , CO 2 ) in different ILs, and we find that the solubility is strongly correlated to one of three different IL properties, which can be directly calculated from the anion electrostatic potential (ESP) surfaces. Thus, the solutes can be grouped into three fundamental types, leading to a general descriptor, the solvation affinity index (SAI), which can identify the affinity between a wide range of gas solutes and IL solvents. The SAI of nine common industrial gases with 47 common anions are generated. Furthermore, this can provide a fast approach for pre-screening IL solvents or even for ILs embedded within porous supports.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integration of hydrophobic gas diffusion layers for zero-gap electrolyzers to enable highly energy-efficient CO 2 electrolysis to C 2 products

Electrochemical CO 2 reduction (eCO2R) is an attractive route for mitigating global CO 2 emissions while producing value-added chemicals. Ethylene is one product of eCO2R and is an essential industrial precursor with a global market of $230 billion. The large-scale implementation of C 2 H 4 -selective CO 2 electrolyzers remains challenging because of low energy efficiencies. In this work, we develop the design principles necessary for incorporating an expanded polytetrafluoroethylene (ePTFE) electrode into a zero-gap electrolyzer while simultaneously developing an integrated electrical front contact that reduces the ohmic resistances inherent to electrically insulating gas diffusion layers. By co-designing the catalyst layer, gas diffusion medium, and operating conditions for a zero-gap ePTFE gas diffusion electrode (GDE), we achieved a full-cell voltage of 2.5 V at 200 mA cm −2 at 25 cm 2 geometric area cell with Faradaic efficiencies of 48% for ethylene and 40% for ethanol. This work highlights strategies for developing a scalable, stable, and highly energy-efficient eCO2R for C 2 products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Production of mechanically-generated 316L stainless steel feedstock and its performance in directed energy deposition processing as compared to gas-atomized powder

The objective of this work is to study the feasibility of mechanically-generated feedstock for use in directed energy deposition (DED) processing. Mechanically-generated powder was created by machining 316L stainless steel bar stock followed by comminution of the resulting chips through oscillation ball milling. This methodology's production yield and processing time for the specifications of a commercially available DED system are presented along with resulting powder morphology. Performance of the mechanically-generated feedstock was compared to gas-atomized powder and evaluated based on the following figures of merit: flowability, printed part height, printed part density, and chemical compositional stability throughout processing. Mechanically-generated feedstock was created to meet deposition system requirements. Compared with gas-atomized powder, mechanically-generated powder did not flow as well through the powder-delivery system. Parts printed from mechanically-generated feedstock were generally taller than their counterparts from gas-atomized feedstock, but their densities were less predictable. As a result, chemical composition of prints using both feedstocks was within standard nominal compositions for 316L stainless steel.

36 MATERIALS SCIENCE↗

Influence of gas expansion on the propagation of a premixed flame in a spatially periodic shear flow

It has been previously demonstrated that thermal gas expansion might have a role in boundary layer flashback of premixed turbulent flames, inducing local flow-reversal in the boundary layer's low-velocity streaks on the reactants’ side of the flame and facilitating its upstream propagation. Here, we perform a two-dimensional numerical investigation of the interaction between a periodic shear flow and a laminar premixed flame. The periodic shear is a simplified model for the oncoming prolonged streamwise velocity streaks with alternating regions of high and low velocities found in turbulent boundary layers in the vicinity of the walls. The parametric study focuses on the amplitude and wavelength of the periodic shear flow and on the gas expansion ratio (unburnt-to-burnt density ratio). With the increase of the amplitudes of the periodic shear flow and of the gas expansion, the curved flame velocity increases monotonically. The flame velocity dependence on the periodic shear wavelength is non-monotonic, which is consistent with previous theoretical studies of curved premixed flame velocity. The flame shape that is initially formed by the oncoming periodic shear appears to be metastable. At a later stage of the flame propagation, the flame shape transforms into the stationary one dominated by the Darrieus-Landau instability.

42 ENGINEERING↗

Pollution to products: recycling of ‘above ground’ carbon by gas fermentation

Climate crisis and rapid population growth are posing some of the most pressing challenges to mankind and have intensified the need for the deployment of carbon recycling and carbon capture and utilization (CCU) technologies. Gas fermentation offers a solution using carbon-fixing chemolithoautotrophic microorganisms. After a decade of scale up, the technology has recently been commercialized with the first plant operating successfully since 2018 and additional units under construction. Gas fermentation offers unique feedstock and product flexibility when compared to other available gas-to-liquid technologies. Advancements in process technology and synthetic biology enable a broad range of feedstocks including emissions from industry or syngas generated from any biomass resource to be converted into a wide range of molecules realizing a circular economy.

09 BIOMASS FUELS↗

Supercritical, liquid, and gas CO 2 reactive transport and carbonate formation in portland cement mortar

In this paper, we investigate carbonate formation and reactive transport rate in variably saturated portland cement mortars when high concentrations of gas, liquid, or supercritical CO 2 flow through their pore network. Xray computed tomography completed during CO 2 flow is used to quantify the microstructural evolution as the mortar carbonates. After in situ tests, higher resolution scans, thermogravimetric analysis, and desorption isotherm analysis are performed to further quantify microstructural changes. We found that at dry conditions supercritical CO 2 moves more rapidly through the pore space and precipitates more carbonates than liquid or gas CO 2 . However, at 50% degree of saturation (DOS) the CO 2 state did not affect the rate of transport in that each specimen exposed to a different CO 2 state carbonated within the first hour of CO 2 exposure. When the pore space is at 50 or 100% DOS, supercritical CO 2 did not react with hydration products more rapidly nor did it result in more carbonate formation during exposure compared to gas or liquid CO 2 . The amount of Ca(OH) 2 that contributes to CaCO 3 formation is correlated to the DOS. For the mortar composition analyzed, Ca(OH) 2 contributes to approximately 40% of the carbonates formed in the 50% DOS specimens and 15% in the 100% DOS specimens. In other words, as the amount of moisture in the pore space increases, phases other than Ca(OH) 2 contribute to more than 50% of the total CaCO 3 formed.

42 ENGINEERING↗

Analysis of synergies in converting underground storage sites: Natural gas to hydrogen with co-located CO2 storage

This study examines the untapped potential of synergistically converting underground natural gas storage (UGS) into underground hydrogen storage (UHS) with co-located CO2 storage. Current approaches to subsurface storage technology (SST) development often prioritise single-use scenarios, overlooking the benefits of integrating multiple technologies. We investigate converting UGS assets into UHS through gradual cushion-gas injection over multiple years, rather than injecting all cushion gas in the first year, and include on-site CO2 storage to offset site emissions. Mechanistic modelling shows this gradual transition reduces the Levelised Cost of Storage (LCOS) of H2 by 1.2-13.1% while retaining energy output within 3% of the current status quo. We also show that combined UHS and CO2 storage hubs can reduce the LCOS of CO2 by 45-77% for only a 3-10% increase in hydrogen LCOS relative to the status quo. This analysis framework may help future-proof SST sites and support a resilient, economically beneficial energy transition.

Mouli-Castillo, Julien↗

Dehydration of gas-phase benzyl amine alcohols studied at atmospheric pressure

Gas-phase ion chemistry is a useful approach for the investigation of physical organic chemistry and the study of reactivity, structure, and thermochemical properties of ionic and neutral organic substrates. Herein, one-step dehydration of gas-phase benzyl amine alcohols to give benzazetidines was discovered without the use of catalysts. Mechanistic investigations of the gas-phase dehydration reactions were explored to study the possible influence of charged microdroplet acceleration during electrospray ionization (ESI) and collisions occurring during ion transfer through the atmospheric pressure interface (API) of the mass spectrometer. The product ion distribution was observed to be less sensitive to droplet effects (spray distance and voltage), and temperature of transfer capillary in the API. However, the product ion distribution exhibit high sensitivity to different S-lens radio frequency (RF) voltage of the API, providing evidence that the dehydration reaction is driven by collisions during ion transfer in the API. With this insight, we developed atmospheric pressure thermal dissociation platform that allowed thermal-induced collisions outside of the mass spectrometer when the benzyl amine alcohols are carried through a heated coiled tube. Up to 98% dissociation efficiency was achieved with the coiled tube heated to a temperature of 200 °C, yielding only the desired benzazetidine product. Finally, by performing the atmospheric pressure thermal dissociation experiment outside of the mass spectrometer, we believe it will be straightforward to collect the dehydration product.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

How does urbanization affect CO 2 emissions of central heating systems in China? An assessment of natural gas transition policy based on nighttime light data

Understanding the different impacts of urbanization on sectorial carbon dioxide (CO 2 ) emissions at different spatial scales is of great importance for the evaluation of energy transition policies and reduction of environmental inequality. However, how urbanization affects the CO 2 emissions of central heating systems at high spatial resolution in China has not been fully studied before. Based on satellite-observed NPP-VIIRS nighttime light (NTL) data, we develop a 5 km x 5 km annual CO 2 emission inventory for coal boilers, thermal power plants (TPPs), and natural gas boilers in China's central heating systems for the period 2012-2017 by using the geographical and temporally weighted regression (GTWR) model. It is observed that nonurban areas generated 2-4 times the CO 2 emissions of coal boilers in urban areas. The largest increments of CO 2 emissions of gas boilers are observed in urban areas of the eastern (6.80 times) and central regions (2.86 times) in 2013-2014, due to the clean heating policy in the "2 + 26" cities in China. The effects of urbanization on CO 2 emissions from natural gas boilers are approximately 2-3 times those of coal boilers, and the differences are largest in western cities with only minor differences in northeastern cities. Overall, our results will aid in designing low-carbon development goals and provide micro-level information on central heating facilities in urbanized and less developed regions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗