Multicomponent diffusion in chemically reacting laminar boundary layers.
Multicomponent reacting laminar boundary layer in chemical equilibrium solved using Stefan-Maxwell relations
CHEMICAL EQUILIBRIUM↗
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Results for “gas diffusion layers”
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Analysis of gas flow through a multilayer insulation system.
A theoretical investigation of gas flow inside a multilayer insulation system has been made for the case of the broadside pumping process. A set of simultaneous first-order differential equations for the temperature and pressure of the gas mixture was obtained by considering the diffusion mechanism of the gas molecules through the perforations on the insulation layers. A modified Runge-Kutta method was used for numerical experiment. The numerical stability problem was investigated. It has been shown that when the relaxation time is small compared with the time period over which the gas properties change appreciably, the set of differential equations can be replaced by a set of algebraic equations for solution. Numerical examples were given and comparison with experimental data was made.
Lin, J. T.↗
Thermal engineering research
A theoretical investigation of gas flow inside a multilayer insulation system has been made for the case of the broadside pumping process. A set of simultaneous first-order differential equations for the temperature and pressure of the gas mixture was obtained by considering the diffusion mechanism of the gas molecules through the perforations on the insulation layers. A modified Runge-Kutta method was used for numerical experiment. The numerical stability problem was investigated. It has been shown that when the relaxation time is small compared with the time period over which the gas properties change appreciably, the set of differential equations can be replaced by a set of algebraic equations for solution. Numerical examples were given, and comparisons with experimental data were made.
Shih, C. C.↗
Minimized aging of isocyanurate-based rigid cellular foams for buildings through tailored barrier facers and optimized formulation
The thermal resistivity (h·ft 2 ·°F/Btu/in.) of closed-cell rigid foam insulation materials significantly decreases over time. Diffusion-tight facers are designed to significantly enhance initial thermal resistivity and long-term thermal performance by preventing gas diffusion into the foam cells and inhibiting the escape of low thermal conductivity blowing agents. In addition to the gas diffusion property of the facer film, adhesion between the foam and the facer is crucial for achieving diffusion-tight bonding. Here, this study addresses the challenge of thermal aging by investigating how facer film properties and foam formulation influence the durability of thermal performance. A systematic evaluation was conducted to understand the effects of polymeric barrier films, surface treatments, facer coverage, and foam matrix rigidity on thermal resistivity over time. Key findings reveal that diffusion-tight facers, particularly those with metallized layers and compatible heat seal layers, significantly reduce gas exchange and improve foam-facer adhesion. The optimized system, incorporating barrier facers and a tailored polyisocyanurate foam formulation, achieved initial and aged thermal resistivity values after 200 days of approximately 8.3 and 7.4 h ft 2 ·°F/Btu/in., respectively representing only a 10 % reduction compared to a 17 % reduction observed in control samples without facers. Notably, polyurethane spray foams with facers exhibited only a 4 % reduction in thermal resistivity, compared to a 23 % decrease in control samples, demonstrating nearly six times better retention of thermal performance. This innovative facer technology presents a promising solution for reducing energy costs and represents a significant advancement in optimizing energy management for building envelopes in future technologies. This technology can also be adapted for other applications that necessitate the preservation of long-term thermal performance.
Wanasinghe, Shiwanka Vidarshi [Oak Ridge National ↗
Multi-scale boron penetration toward stabilizing nickel-rich cathode
Nickel-rich layered oxides LiNi x Co y Mn 1-x-y O 2 (x≥0.8) have been recognized as the preferred cathode materials to develop lithium-ion batteries with high energy density (>300Wh kg -1 ). However, the poor cycling stability and rate capability stemming from intergranular cracks and sluggish kinetics hinder their commercialization. To address such issues, a multi-scale boron penetration strategy is designed and applied on the polycrystalline LiNi 0.83 Co 0.11 Mn 0.06 O 2 particles that are pre-treated with pore construction. The lithium-ion conductive lithium borate in grain gaps functions as the grain binder that can bear the strain/stress from anisotropic contraction/expansion, and provides more pathways for lithium-ion diffusion. As a result, the intergranular cracks are ameliorated and the lithium-ion diffusion kinetics is improved. Moreover, the coating layer separates the sensitive cathode surface and electrolyte, helping to suppress the parasitic reactions and related gas evolution. In addition, the enhanced structural stability is acquired by strong B-O bonds with trace boron doping. As a result, the boron-modified sample with an optimized boron content of 0.5% (B5-NCM) exhibits a higher initial discharge capacity of 205.5mAh g -1 at 0.1C (1C=200mA g -1 ) and improved capacity retention of 81.7% after 100 cycles at 1C. Furthermore, the rate performance is distinctly enhanced by high lithium-ion conductive LBO (175.6mAh g -1 for B5-NCM and 154.6mAh g -1 for B0-NCM at 5C).
25 ENERGY STORAGE↗
Boundary layer effects on particle impaction and capture
The inertial impaction and deposition of small particles on larger bodies with viscous boundary layers are considered theoretically, in a detailed comment on a paper by Menguturk et al. (1983). Topics addressed include cushion effects, the dimensionless groups corresponding to the diameter range (3-6 microns) examined by Menguturk et al. in a numerical example, analogous effects of particle-gas energy and mass exchange in boundary layers, and the combined effects of particle inertia and diffusion. It is argued that the inertial effects can be characterized in terms of a body, boundary-layer, or sublayer Stokes number. In a reply by Menguturk et al., the focus is on the application of the theoretical model to the erosion of blade surfaces in large gas turbines; the Stokes number is found to be of limited practical value in these cases, because the particle motion is not primarily normal to the blade surfaces.
Rosner, D. E.↗
Highly selective and productive reduction of carbon dioxide to multicarbon products via in situ CO management using segmented tandem electrodes
Electrochemical CO 2 reduction provides a promising route to the sustainable generation of valuable chemicals and fuels. Tandem catalysts enable sequential CO 2 -to-CO and CO-to-multicarbon (C 2+ ) product conversions on complementary active sites, to produce high C 2+ Faradaic efficiency (FE). Unfortunately, previous tandem catalysts exhibit poor management of CO intermediates, which diminishes C 2+ FE. Here, we design segmented gas-diffusion electrodes (s-GDEs) in which a CO-selective catalyst layer (CL) segment at the inlet prolongs CO residence time in the subsequent C 2+ -selective segment, enhancing conversion. This phenomenon enables increases in both the CO utilization and C 2+ current density for a Cu/Ag s-GDE compared to pure Cu, by increasing the *CO coverage within the Cu CL. Lastly, we develop a Cu/Fe-N-C s-GDE with 90% C 2+ FE at C 2+ partial current density (j C2+ ) exceeding 1 A cm -2 . These results prove the importance of transport and establish design principles to improve C 2+ FE and j C2+ in tandem CO 2 reduction.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Lithium‐Containing Hybrid SEI Layer Enabling High Mass Loading and Anode‐Less Sodium Metal Batteries
The continuous rupturing and rebuilding of unstable solid electrolyte interphase (SEI) layer during cycling would block Na + diffusion and induce Na dendrite formation, ultimately limiting the practical application of high-energy-density sodium metal batteries. Herein, a hybrid SEI layer containing Li-species is dexterously constructed on the surface of sodium metal anode. Li-containing inorganic components (Li 3 N, LiF, and Li 2 CO 3 ) are introduced to stabilize the Na/electrolyte interface and enhance the mechanical and diffusion kinetic properties of the SEI layer, which can reduce the side reactions and gas generation, regulate Na + flux during cycling and promote rapid Na + migration for uniform dendrite-free Na deposition. As a result, the constructed Na symmetric cells achieve low overpotential and long cycle life of 5900, 1800, and 500 h at current densities of 3, 10, and 30 mA cm −2 , respectively. Furthermore, the full cells paired with the Na₃V₂(PO₄)₃ cathode demonstrate high specific capacity and excellent cycle stability, even at an ultra-high cathode loading of 39.3 mg cm −2 and a low N/P ratio (negative/positive electrode capacity ratio of 1.21).
Diffusion kinetic↗
Oxygen Reduction Reaction Activity of Nanocolumnar Platinum Thin Films by High Pressure Sputtering
Nanocolumnar platinum thin films (Pt-TFs) were produced by high pressure sputtering (HIPS) and investigated as oxygen reduction reaction electrocatalysts for polymer electrolyte membrane fuel cells. Conventional high-density Pt-TF prepared by low pressure sputtering was also studied for comparison. Pt-TFs were deposited on a microporous layer (MPL)-like surface composed of carbon particles to mimic catalyst-coated gas diffusion electrodes. Electron microscopy imaging revealed that HIPS Pt-TFs developed a cauliflower-like columnar microstructure, which originated from a shadowing effect during HIPS. This shadowing effect is enhanced on the rough surface of the MPL-like carbon that leads to the nano-cauliflower formation. With this approach, we also aimed to relate the catalyst performance obtained by benchtop tests directly to membrane electrode assembly test results. The electrochemically active surface area of Pt-TFs increased from 10 to 19 m 2 /g with increasing sputter pressure. Specific activity of conventional high-density and nanocolumnar films were similar at ~600 μA/cm 2 , which is likely due to their similar crystal grain sizes, >5 nm. On the other hand, mass-specific (MA) activity values increased from ~0.06 A/mgPt for conventional Pt-TF to ~0.13 A/mgPt for HIPS Pt-TFs, which is consistent with the columnar microstructure of HIPS films providing a better catalyst utilization compared to conventional Pt-TF.
08 HYDROGEN↗
Small particle transport across turbulent nonisothermal boundary layers
The interaction between turbulent diffusion, Brownian diffusion, and particle thermophoresis in the limit of vanishing particle inertial effects is quantitatively modeled for applications in gas turbines. The model is initiated with consideration of the particle phase mass conservation equation for a two-dimensional boundary layer, including the thermophoretic flux term directed toward the cold wall. A formalism of a turbulent flow near a flat plate in a heat transfer problem is adopted, and variable property effects are neglected. Attention is given to the limit of very large Schmidt numbers and the particle concentration depletion outside of the Brownian sublayer. It is concluded that, in the parameter range of interest, thermophoresis augments the high Schmidt number mass-transfer coefficient by a factor equal to the product of the outer sink and the thermophoretic suction.
Rosner, D. E.↗
Lithium‐Containing Hybrid SEI Layer Enabling High Mass Loading and Anode‐Less Sodium Metal Batteries
Abstract The continuous rupturing and rebuilding of unstable solid electrolyte interphase (SEI) layer during cycling would block Na + diffusion and induce Na dendrite formation, ultimately limiting the practical application of high‐energy‐density sodium metal batteries. Herein, a hybrid SEI layer containing Li‐species is dexterously constructed on the surface of sodium metal anode. Li‐containing inorganic components (Li 3 N, LiF, and Li 2 CO 3 ) are introduced to stabilize the Na/electrolyte interface and enhance the mechanical and diffusion kinetic properties of the SEI layer, which can reduce the side reactions and gas generation, regulate Na + flux during cycling and promote rapid Na + migration for uniform dendrite‐free Na deposition. As a result, the constructed Na symmetric cells achieve low overpotential and long cycle life of 5900, 1800, and 500 h at current densities of 3, 10, and 30 mA cm −2 , respectively. Furthermore, the full cells paired with the Na₃V₂(PO₄)₃ cathode demonstrate high specific capacity and excellent cycle stability, even at an ultra‐high cathode loading of 39.3 mg cm −2 and a low N/P ratio (negative/positive electrode capacity ratio of 1.21).
Xia, Li [State Key Laboratory of Physical Chemistr↗
Numerical Study of the Transient Vaporization of an Oxygen Droplet at Sub- and Super-Critical Conditions
Unsteady vaporization of a droplet in a high-pressure quiescent environment has been studied. With spherical symmetry and constant pressure, the process is diffusion controlled. At low pressures droplet heating is significant for most of the droplet lifetime, and an unsteady analysis of the gas phase is required. Then, the vaporization of a liquid oxygen droplet in gaseous hydrogen at moderate and high pressures is considered. At super-critical pressures, the surface temperature reaches the computed critical mixture value where a model for super-critical combustion is needed. The details of the diffusion layer of dissolved hydrogen do not significantly affect the results. Various methods are explored to compute the gas-phase density. Under the model's assumptions, homogeneous nucleation is not likely to occur.
Delplanque, J.-P.↗
Microstructural Evolution and ORR Activity of Nanocolumnar Platinum Thin Films with Different Mass Loadings Grown by High Pressure Sputtering
Nanocolumnar platinum thin films (Pt-TFs) with different Pt mass loadings were grown by high pressure sputtering (HIPS) and investigated as oxygen reduction reaction (ORR) electrocatalysts for polymer electrolyte membrane fuel cell applications. Mass loading was controlled by changing the sputter deposition time. A cauliflower-like columnar microstructure was achieved by depositing the Pt-TFs onto a microporous layer (MPL)-like surface composed of carbon particles in order to mimic catalyst-coated gas diffusion electrodes. Microstructural evolution of HIPS Pt-TFs and their ORR activity were investigated. Electrochemical characterization of the nanocolumnar Pt-TFs was performed by cyclic voltammetry and rotating disk electrode measurements on Pt-TF/MPL-like-layer/glassy-carbon samples in an aqueous perchloric acid electrolyte. The electrochemically active surface area increased from 18 to 39 m 2 g –1 as the Pt mass loading was decreased. Specific activity of the films was similar (~600 μA cm –2 ) for all Pt mass loadings, due to the similar nanoparticle sizes of ~5 nm as observed by transmission electron microscopy and X-ray diffraction. Furthermore, mass activity of the films increased from 0.11 to 0.26 A mg –1 as the Pt mass loading was decreased, which is an indication of the effective Pt utilization and better access through the catalyst layer at lower Pt mass loadings.
08 HYDROGEN↗
A 3D nm-thin biomimetic membrane for ultimate molecular separation
Multi-functional membranes with high permeance and selectivity that can mimic nature's designs have tremendous industrial and bio-medical applications. In this paper, we report a novel concept of a 3D nanometer (nm)-thin membrane that can overcome the shortcomings of conventional membrane structures. Our 3D membrane is composed of two three-dimensionally interwoven channels that are separated by a continuous nm-thin amorphous TiO 2 layer. This 3D architecture dramatically increases the surface area by 6000 times, coupled with an ultra-short diffusion distance through the 2–4 nm-thin selective layer that allows for ultrafast gas and water transport, ~900 l m –2 h –1 bar –1 . The 3D membrane also exhibits a very high ion rejection (R ~ 100% for potassium ferricyanide) due to the combined size- and charge-based exclusion mechanisms. The combination of high ion rejection and ultrafast permeation makes our 3DM superior to the state-of-the-art high-flux membranes whose performances are limited by the flux-rejection tradeoff. Furthermore, its ultimate Li+ selectivity over polysulfide or gas can potentially solve major technical challenges in energy storage applications, such as lithium–sulfur or lithium–O 2 batteries.
36 MATERIALS SCIENCE↗
Temperature and velocity profiles in sooting free boundary layer flames
Temperature and velocity profiles are presented for cyclohexane, n-heptane, and iso-octane free, laminar, boundary layer, sooting, diffusion flames. Temperatures are measured with 3 mil Pt/Pt-13 percent Rh thermocouples. Corrected gas temperatures are derived by performing an energy balance of convection to and radiation from the thermocouple bead incorporating the variation of air conductivity and platinum emissivity with temperature. Velocities are measured using laser doppler velocimetry techniques. Profiles are compared with previously reported analytic temperature and velocity fields. Comparison of theoretical and experimental temperature profiles suggests improvement in the analytical treatment is needed, which accounts more accurately for the local soot radiation. The velocity profiles are in good agreement, with the departure of the theory from observation partially due to the small fluctuations inherent in these free flows.
Ang, J. A.↗
Spatially Mapping the CO 2 Alkaline Sorbent Diffuse Microenvironment Using Operando Raman Spectroscopy
When designing a chemical process, the local balance of transport and kinetics, collectively referred to as the diffuse microenvironment, plays a critical role in performance but is difficult to directly observe. This work demonstrates a method of two-dimensional spatial chemical mapping of the diffuse microenvironment in the context of alkali metal hydroxide direct air capture of carbon dioxide using a custom operando gas-absorption flow cell along with confocal Raman spectroscopy. Notably, we observe the concentration boundary layer near the gas–liquid interface and elucidate the interplay of carbonate and bicarbonate ions within it while inferring local hydroxide depletion through continuum modeling. These first of their kind observations provide a technique to compare the performance of direct air capture solvents based on diffuse microenvironment dynamics while also providing metrics important for air contactor design such as boundary layer thickness. Overall, this work showcases a new experimental platform to study interfacial diffuse microenvironments in and outside of the field of direct air capture of carbon dioxide.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Catalyst layer formulations for slot-die coating of PEM fuel cell electrodes
The series of electrodes were fabricated by the scalable and manufacturable slot-die coating method for proton exchange membrane fuel cell (PEMFC) application. The inks with different amounts of solids were studied by rheological methods in order to establish a coating window with minimum manufacturing defects. The obtained electrodes were characterized by SEM, AFM, and optical microscopy, which showed that they were uniform and homogeneous with minimum defects. The electrochemical evaluation of the manufactured gas diffusion electrodes (GDE) showed that the main characteristics of the electrodes, like electrochemical surface area, proton resistivity, and double layer capacitance, were found to be close for all samples confirming the reproducibility of the slot-die process. Additionally, we studied the effects of membrane thickness on the performance of the GDE membrane electrode assemblies and determined that a decrease in membrane thickness favored the performance. Furthermore, the obtained results clearly demonstrated the applicability and feasibility of the approach for the Manufacturing of catalyst layers for the fuel cell application with potential for future mass production.
08 HYDROGEN↗
Investigation of the electrical behavior of AlGaN/GaN high electron mobility transistors grown with underlying GaN:Mg layer
In the current study, the electrical behavior of the AlGaN/GaN high electron mobility transistors (HEMTs) grown with an underlying GaN:Mg layer is detailed. It is shown that the activation of the buried p-GaN layer is achieved without hydrogen diffusion out of the layer. Reversal in the electrical behavior of the two-dimensional electron gas (2DEG) is also observed in the as-grown structure based on the p-GaN activation sequence. This behavior is attributed to the complex role played by hydrogen in the overgrown HEMT layers. The results of this study provide new insights into the development of metal organic chemical vapor deposition grown HEMTs with activated buried p-GaN films.
Mahaboob, Isra (ORCID:0000000171558130)↗