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At least 451 records · Page 25

Prediction of Performance Variation Caused by Manufacturing Tolerances and Defects in Gas Diffusion Electrodes of Phosphoric Acid (PA)–Doped Polybenzimidazole (PBI)-Based High-Temperature Proton Exchange Membrane Fuel Cells

The automated process of coating catalyst layers on gas diffusion electrodes (GDEs) for high-temperature proton exchange membrane fuel cells results inherently into a number of defects. These defects consist of agglomerates in which the platinum sites cannot be accessed by phosphoric acid and which are the consequence of an inconsistent coating, uncoated regions, scratches, knots, blemishes, folds, or attached fine particles—all ranging from μm to mm size. These electrochemically inactive spots cause a reduction of the effective catalyst area per unit volume (cm2/cm3) and determine a drop in fuel cell performance. A computational fluid dynamics (CFD) model is presented that predicts performance variation caused by manufacturing tolerances and defects of the GDE and which enables the creation of a six-sigma product specification for Advent phosphoric acid (PA)-doped polybenzimidazole (PBI)-based membrane electrode assemblies (MEAs). The model was used to predict the total volume of defects that would cause a 10% drop in performance. It was found that a 10% performance drop at the nominal operating regime would be caused by uniformly distributed defects totaling 39% of the catalyst layer volume (~0.5 defects/μm2). The study provides an upper bound for the estimation of the impact of the defect location on performance drop. It was found that the impact on the local current density is higher when the defect is located closer to the interface with the membrane. The local current density decays less than 2% in the presence of an isolated defect, regardless of its location along the active area of the catalyst layer.

Gurau, Vladimir (ORCID:0000000327429061)↗

Characterization of Heat Transfer in a Trapped-Vortex Combustor Designed for High-Temperature Material Testing

Next generation gas turbines will reduce carbon emissions by improving their cycle efficiencies and implementing hydrogen as a low-carbon fuel. The combined-cycle efficiency can be improved by increasing the combustor outlet temperature and decreasing the cooling air required for hot-section parts. Ultra-high temperature ceramic matrix composites (CMC) can survive increasingly extreme environments due to their strong mechanical properties at expected conditions. The introduction of CMCs in high-hydrogen flame environments requires testing at realistic conditions that mimic the thermochemical and fluid mechanic states in gas-turbine combustors. In this work, we describe a new experiment that has been designed to test high-temperature materials in a combustor-relevant environment. Its trapped-vortex combustor chamber design allows for high levels of fuel flexibility and wide flame stability limits. Testing of monolithic silicon carbide (SiC) samples in this environment was done to characterize the heat transfer to material samples over a wide range of operating conditions, including variations in fuel composition and thermal power. Heat flux measurements were verified in non-reacting and reacting environments after which they were benchmarked with previous literature to verify the operation of the facility with heated air. Testing in combustor-relevant conditions shows high levels of heat flux to the material samples in the combustor, particularly downstream of the anchored flame.

Richins, Porter [Pennsylvania State University , ,↗

Maxwell–Boltzmann statistics of the quantum ideal gas in the canonical ensemble

Abstract The Maxwell–Boltzmann statistics of the quantum ideal gas is studied through the canonical partition function by exactly counting discrete quantum states without the continuum approximation. Analytic expressions for energy, pressure, entropy, and heat capacity are expressed in terms of Jacobi theta functions and complete elliptic integrals. The results show typical effects of discrete energy levels in the low temperature limit while they reproduce thermodynamics of the classical ideal gas in the high temperature limit.

Mechanics↗

A Geomechanical Model for Gas Hydrate Bearing Sediments Incorporating High Dilatancy, Temperature, and Rate Effects

The geomechanical behavior of methane hydrate bearing sediments (MHBS) is influenced by many factors, including temperature, fluid pressure, hydrate saturation, stress level, and strain rate. The paper presents a visco-elastoplastic constitutive model for MHBS based on an elastoplastic model that incorporates the effect of hydrate saturation, stress history, and hydrate morphology on hydrate sediment response. The upgraded model is able to account for additional critical features of MHBS behavior, such as, high-dilatancy, temperature, and rate effects. The main components and the mathematical formulation of the new constitutive model are described in detail. The upgraded model is validated using published triaxial tests involving MHBS. The model agrees overly well with the experimental observations and is able to capture the main features associated with the behavior of MHBS.

15 GEOTHERMAL ENERGY↗

"Source Term Modeling for Advanced Gas Micro-Reactors"

Maintaining the safety of the public, environment, and operating personnel is the most important factor in designing, operating, maintaining, and decommissioning nuclear reactors. In recent years, there has been a growing interest in the development of micro-reactors employing TRi-structural ISOtropic (TRISO)-coated particle fuel. In gas reactors, TRISO fuel plays an important role in the safety case for high temperature reactors because of the fission product retention properties of the fuel. This ability enables the use of a functional containment strategy for the reactor where multiple barriers are used to prevent fission product release to the environment. Part of the safety analysis of these advanced reactors is the assessment of radionuclide releases under normal and accident conditions through the multiple credited safety barriers. Using conservative assumptions, a mechanistic analysis can be performed to quantify these releases that combines the probabilistic assessment of failure with analytic solutions to radionuclide transport equations. Source term modeling for TRISO fuel has been performed for previous reactor designs; however, these models are outdated, in many cases proprietary, and need updates to be applied to the current state of TRISO fuel technology and alternative gas reactor core configurations [1]. Currently, the only publicly available source term assessment for gas reactors is an expert-based Monte Carlo simulation based on the effectiveness of the fuel kernel, coating layers, and graphite block in a modular high temperature gas reactor [2]. Thus, there is a need to develop a simple, versatile, and mechanistic model of fission product release and transport in gas reactor cores that could be applied to a variety of reactors through user inputs and reactor-specific radionuclide inventories. The release is calculated by the diffusion of the key safety important fission products through the kernel, silicon carbide (SiC), graphite for both intact and defective TRISO particles based on fuel and graphite temperatures in the reactor under normal operation. These releases from the fuel enter the coolant where they can plate-out on cooler surfaces. A clean-up model is included for designs with a coolant purification system to remove fission gases. This initial distribution of fission products in the reactor serves as an initial condition for potential releases under postulated accident conditions. The model then can calculate the fission product release for any transient temperature profile and fission product releases can then be used to assess radiological dose to the workers and the public using conventional dose tools. Data on the diffusion of fission products is based on historic German TRISO experiments and the more current Department of Energy (DOE) Advanced Gas Reactor (AGR) TRISO fuel development program. The model is coded in python with inputs and outputs in excel spreadsheets, as well as python plotting utilities to aid in the interpretation of the results. References: [1] INL, NGNP Mechanistic Source Term White Paper, INL-10-17997, July 2010. [2] David A. Petti, Richard R. Hobbins, Peter Lowry, Hans Gougar, “Representative Source Terms and The Influence of Reactor Attributes on Functional Containment in Modular High Temperature Gas-cooled Reactors,” Nuclear Technology, Vol. 184, p. 181-197, Nov. 2013.

07 ISOTOPE AND RADIATION SOURCES↗

Bio-inspired alula-based winglet design for enhanced heat transfer in high temperature fin-and-tube heat exchangers

Fin-and-tube heat exchangers (FTHEs) are widely used for high-temperature flue-gas heat recovery, but their performance is often limited by wake regions and non-uniform fin-surface temperatures. This study proposes and numerically evaluates four bio-inspired longitudinal vortex generator (VG) configurations in a high-temperature FTHE with flue-gas inlet temperature ∼1230 K: double-delta, curved double-delta, alula, and a new curved-alula geometry. The reference fin is not hydraulically plain; it already incorporates leading-edge separation columns and convex protrusions, so the alula-type winglets are assessed as downstream add-ons acting on a strongly disturbed flow. In a second step, perforations (one, two and three circular holes) are introduced into the curved-alula VGs to further tailor the flow field. Three-dimensional simulations with the Shear Stress Transpor (SST) $k - ω$ model, temperature-dependent flue-gas properties and conjugate conduction are carried out for gas-side Reynolds numbers $Re_g ≈ 8.0$ x $10^2 - 3.6$ x $10^3$ (mass flow rates 0.5 – 2.5 g/s), and the designs are compared in terms of surface heat flux, Nusselt number, friction factor and hydrothermal performance factor (HTPF). For this already-promoted fin, the additional downstream winglets provide moderate, incremental hydrothermal gains. At the highest Reynolds number, the best non-perforated design (curved-alula) increases surface heat flux from 1630.9 to 1794.7 kW/m² (∼ 10 % gain) and the Nusselt number from 227.6 to 242.6 (∼ 7 % gain), while the friction factor rises from 0.26 to about 0.30, yielding HTPF values close to unity (∼ 0.9 – 1.0). Introducing circular perforations into the curved-alula winglets acts mainly as a wake-bleeding refinement: the three-hole configuration provides a heat flux of 1824.7 kW/m² and a pressure drop of 127.9 Pa, with HTPF in the range ∼ 1.03 – 1.14 and a small (∼ 1 – 3 %) improvement over the solid curved-alula design. Flow-field analysis shows that the perforated curved-alula VGs shrink tube-wake regions, thin the thermal boundary layer and homogenize the fin-surface temperature (outlet-gas temperature ∼ 510 – 520 K and fin-surface temperature ∼ 420 – 421 K for the three-hole case). An optimal flue-gas mass flow rate of ∼ 1 g/s ($Re_g ≈ 1.5$ x $10^3$) is identified, beyond which additional heat-transfer gains are offset by rapidly increasing pressure losses. Overall, the results highlight that initial fin geometry and VG placement are as important as VG shape: alula-based winglets are expected to yield larger relative gains on simpler flat-fin layouts or when positioned closer to the fin leading edge and tube

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Atomic dynamics in fluids: Normal mode analysis revisited

Developing microscopic understanding of the thermal properties of liquids is challenging due to their strong dynamic disorder, which prevents characterization of the atomic degrees of freedom. There have been significant research interests in the past few decades to extend the normal mode analysis for solids to instantaneous structures of liquids. However, the nature of normal modes that arise from these unstable structures is still elusive. Here, in this paper, we explore the instantaneous eigenmodes of dynamical matrices of various Lennard-Jones argon liquid and gas systems at high temperatures and show that the normal modes can be interpreted as an interpolation of T →∞ (gas) and T=0 (solid) mode descriptions. We find that normal modes become increasingly collisional and translational, recovering atomistic gaslike behavior rather than vibrational with increase in temperature, suggesting that normal modes in liquids may be described by both solidlike and gaslike modes.

74 ATOMIC AND MOLECULAR PHYSICS↗

Development and Standup Testing of a System to Observe Fission Gas Release During Transient Heating of Nuclear Fuel Element Segments

As part of an effort to increase the burnup of nuclear fuels used in Light Water Reactors, the mechanisms and timing of fission gas release during high temperature transients must be studied. In this work, a system was built to observe fission gas release of fuel element sections under evacuated conditions, at temperatures up to 800 °C. System capabilities and limitations are overviewed in this report. The system was further tested with a hydrogen-infused titanium foils and gas release was observed in agreement with literature observations. Pressure was monitored with two sensors, and temperature was monitored using a thermocouple and a pyrometer with continuous visual imaging.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Combined Plasmonic Au-nanoparticle and Conducting Metal Oxide High-temperature Optical Sensing with LSTO

<span style="color: rgba(0, 0, 0, 0.79); font-family: &quot;Source Sans Pro&quot;, source-sans-pro, museo_sans300, museo-sans, Arial, sans-serif; font-size: 16px; background-color: rgb(255, 255, 255);">Fiber optic sensor technology offers several advantages for harsh-environment applications. However, the development of optical gas sensing layers that are stable under harsh environmental conditions is an ongoing research challenge. In this work, electronically conducting metal oxide lanthanum-doped strontium titanate (LSTO) films embedded with gold nanoparticles are examined as a sensing layer for application in reducing gas flows at high temperature (600–800 °C). A strong localized surface plasmon resonance (LSPR) based response to hydrogen is demonstrated in the visible region of the spectrum, while a Drude free electron-based response is observed in the near-IR. Characteristics of these responses are studied both on planar glass substrates and on silica fibers. Charge transfer between the oxide film and the gold nanoparticles is explored as a possible mechanism governing the Au LSPR response and is considered in terms of the corresponding properties of the conducting metal oxide-based matrix phase. Principal component analysis is applied to the combined plasmonic and free-carrier based response over a range of temperatures and hydrogen concentrations. It is demonstrated that the combined visible and near-IR response of these films provides improved versatility for multiwavelength interrogation, as well as improved discrimination of important process parameters (concentration and temperature) through application of multivariate analysis techniques.</span>

Wuenschell, Jeffrey K.↗

Modeling Advanced Strippers for CO2 Capture from Gas-Fired Power Plants using Aqueous Piperazine

Energy performance of 5 m piperazine was evaluated with an advanced stripper at the pilot scale, accounting for heat loss. Modeling studies indicated that heat loss at locations other than the heat source impacted the heat duty. For strippers with excess packing, the column was the most important source of heat loss, and values as low as 0.03 GJ/hr can cause pinch and reabsorption of CO2. Solvents like 5 m PZ are more affected by heat loss in the column due to a top-side temperature pinch at high lean loading. Heat loss impacts NGCC CO2 capture more than coal-based CO2 capture. Surface temperature measurements pilot plants showed that heat loss was 50-75% controlled by natural convection. Measured heat loss was correlated with steam flowrate and wind speed and ranged from 8126 to 219668 Btu/hr, representing 35% of the measured heat rate on average. Net heat duty linearly varied with CO2 removal at low lean loading and was similar for coal and NGCC conditions at fixed removal. At 90% removal, net heat duty was about 2.5 GJ/t with 4 and 12% CO2 in the flue gas. 7 At NGCC conditions, strippers with finite packing can benefit from a flashing feed to the top of the column by using a hot bypass. A flashing feed was linked to a reduction in irreversibility of the stripper from temperature driving forces. It also reduces heat duty by up to 6% at fixed packing height and reduces packing requirement for a fixed steam heater size compared to a warm bypass. Lean loading and lean solvent rate were effective handles to maximize profitability of a fixed stripper design at low gas price. High ambient temperature operation can benefit from low pressure stripping to about 0.18 lean loading at 150 ℃ to maintain the cyclic capacity at reduced rich loading. At low gas price, the capture plant was able to maximize profitability even with a high heat duty of 2.7-3.1 GJ/t at a lean loading of 0.2-0.22 mol/mol. Heat recovery by partial water vapor condensation in a gas-liquid exchanger can be replaced by a direct contact condenser (DCC). The DCC improved gas cooling and reduced heat duty compared to the CO2 exchanger at 0.2 lean loading. The DCC when used with a 150 ℃/5.5 bar stripper can reduce the cost of capture compared to the base case by $3- 4/tonne at 15 ft of packing (optimum) but increases cost of capture by $6/tonne with a 120 ℃/2 bar stripper and 10 ft of packing (optimum). The DCC can work effectively with a solvent with a high heat of absorption and thermal stability.

Suresh Babu, Athreya↗

High Frequency Transverse Instabilities in Low NOx Gas Turbines

This program addresses the topic of combustion instabilities under the goal of developing “Low-NOx Combustion Technology for ‘Air-Breathing’ Advanced Turbines”. With recent advances in high-temperature withstanding materials, the push towards higher efficiency has resulted in efforts to design high temperature, low NOx gas turbines. The development of such low NOx systems is often plagued with combustion instabilities. These instabilities manifest with acoustic modes that are longitudinal, transverse or both. A large body of literature and work exists addressing the underlying mechanisms and models for longitudinal instabilities and these have been successfully implemented in the design tools for low NOx gas turbines. The flame response aspect of the thermoacoustic feedback loop was often modeled in an acoustically compact framework since for low frequencies, the flame length scale was small compared to the acoustic wavelength. This enabled simplification where the modeling focused only on the overall flame response and not the local spatial distribution of the flame response. In addition, additional mechanisms such as the direct effect of pressure fluctuations on the flame response could be neglected. In contrast, high frequency instabilities which often are transverse in nature, have received relatively less attention in the literature. The flame is no longer acoustically compact and thus the local distribution of heat release must be accurately understood. The flame responds to velocity fluctuations, equivalence ratio fluctuations as before, but also to pressure fluctuations through kinetic effects. These aspects of high-frequency instabilities make it a challenging problem that requires a detailed elucidation of the underlying mechanisms and creating models for them. In this program we significantly improved the understanding of these instabilities through a combination of experiments (informed by interactions with OEMs), modeling of measured data and reduced order modeling of flame response. The results from the program can be used as basis for robust design tools that are essential for successfully developing gas turbines that operate in an environmentally acceptable manner with mitigation strategies for high-frequency instabilities.

08 HYDROGEN↗

PINCH POINT ANALYSIS OF GAS COOLERS IN TRANSCRITICAL R1336mzz(Z) HIGH-TEMPERATURE HEAT PUMPS

The majority of high-temperature heat pumps (HTHPs) operate subcritical vapor compression cycles, where the maximum sink temperature is limited by the critical temperature of refrigerants. In HTHPs with a sink temperature of ≥ 150°C, transcritical cycles overcome this limitation by rejecting heat in the supercritical regions of refrigerant. Supercritical refrigerants in gas coolers have a large temperature glide and substantial nonlinear variation in specific heat capacity vs. temperature. Closely matching the refrigerant glide temperature and the heat sink temperature profile greatly impacts the heat transfer characteristic of gas coolers and the overall performance of HTHPs. This study conducts a pinch point analysis for the gas cooling process of supercritical R1336mzz(Z) in HTHPs. A finite volume element model of a supercritical R1336mzz(Z) counterflow gas cooler is built and solved. This study evaluates the influences of operating conditions, including inlet and outlet of coolants, refrigerant evaporation temperature and superheat degree, pinch temperature difference, and heat rejection pressure, on the performance of HTHPs. The optimal discharge pressures in gas coolers are proposed for industrial spray dryers in providing drying air at 170°C−210°C. The results of the present study help design gas coolers in transcritical R1336mzz(Z) HTHPs.

Wang, Pengtao↗

Atomic dynamics of gas-dependent oxide reducibility

Understanding oxide reduction is critical for advancing metal production, catalysis and energy technologies. Although carbon monoxide (CO) and hydrogen (H 2 ) are widely used reductants, the mechanisms by which they work are often presumed to be similar, both involving lattice oxygen removal. However, because of growing interest in replacing CO with H 2 to lower CO 2 emissions, distinguishing gas-specific reduction pathways is critical. Yet, capturing these atomic-scale processes under reactive gas and high-temperature conditions remains challenging. Here we use environmental transmission electron microscopy, which is capable of real-time, atomic-resolution imaging of gas–solid redox reactions to directly visualize the gas-dependent oxide reduction dynamics in NiO. We show that CO drives surface nucleation and the growth of metallic Ni islands, leading to self-limiting surface metallization. Conversely, H 2 activates a coupled surface-to-bulk transformation, where protons from dissociated H 2 infiltrate the oxide lattice to promote the inward migration of surface-generated oxygen vacancies and enabling bulk metallization. By contrast, oxygen vacancies formed by CO remain confined near the surface, where they rapidly form a metallic Ni layer that inhibits further reduction. Furthermore, these results reveal distinct atomistic pathways for CO and H 2 and provide insights that may guide metallurgical processes and catalyst design.

36 MATERIALS SCIENCE↗

Multiple redox mechanisms for water-gas shift reaction on Fe 3 O 4 (1 1 1) surface: A density functional theory and mean-field microkinetic modeling study

In this work, we investigated redox mechanisms for the high temperature (HT) water–gas shift reaction (WGSR) on the Fe 3 O 4 (1 1 1) surface using density functional theory (DFT) calculations and mean-field microkinetic modeling (MKM). The redox pathways branched into three Langmuir-Hinshelwood processes (LH1, LH2 and LH3) and one Mars-van-Krevelen (MVK) process (in the presence of oxygen vacancy) from multidentate binding of CO and CO 2 over four available reactive sites (Fe oct2 , Fe tet1 , Fe bridge, and O1). We found that the LH1 and LH2 processes have CO adsorption at a single iron site (Fe oct2 or Fe tet1 ), while the LH3 and MVK processes have stronger chemisorption of CO or CO 2 by both the Fe oct2 site and the O 1 site. From the mechanistic study of these reaction path, we recognized that availability of O 1 sites was key to proceed to either CO oxidation by the single site (LH1, LH2) or by the dual site (LH3, MVK). We observed that the reaction energetics were significantly different in the CO oxidation steps, where the single or dual site results in markedly different apparent activation energy (73–281 kJ/mol) and reaction rates (10 -3 –10 -10 mol∙m -2 ∙s -1 ) among the four reaction mechanisms. The utilization of mean field MKM with DFT reaction energetics helps explain the experimental debates for the catalytic reaction details as well as providing a possible direction to engineer the catalyst with higher activity.

42 ENGINEERING↗

Process Heat for Chemical Industry

Process heating with nuclear energy can reduce greenhouse gas emissions by reducing combustion of fossil fuels in fired heaters as steam boilers. Light water reactors can replace the majority of steam duties used by industry; however, high temperature processes such as steam methane reforming require advanced high temperature reactors. Here, guidance on matching the scale of nuclear reactors with specific industries is provided. Principles of heat transport, temperature boosting, and substitution for hot combustion gases are also discussed in this section.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

High Temperature Thermal Barrier Coating Evaluation of Yttrium Aluminum Garnet for Gas Turbine Applications

The Solution Precursor Spray Process (SPPS) process has been shown to overcome the durability and property challenges of applying yttrium aluminum garnet (YAG) coating for high temperature thermal barrier coating (TBC) applications (1200°C+) but only limited testing has been performed in representative application environments. In this study, YAG coatings were developed to optimize microstructure and tailor properties for combustion components in an industrial gas turbine. Thermal conductivity, erosion resistance and furnace cycling durability were used to validate YAG properties against the standard yttria-stabilized zirconia coating (YSZ). Graded and multi-layered microstructures were applied to enhance performance while maintaining durability. Further YAG process development was required to replicate coating properties and optimize deposition on more complex fuel injector nozzle and combustion liner components. Rig testing of both components was performed and compared against the baseline YSZ coating validating the high temperature capability and lower thermal conductivity of the SPPS YAG coating. The components in both tests were cycled for a minimum of ten cycles with the fuel injector test targeting a higher operating temperature while the combustor liner operated at standard conditions. A development engine test is planned to further validate performance in a gas turbine engine of this promising material.

36 MATERIALS SCIENCE↗

Observation of Slow Eigen-Zundel Interconversion in H + (H 2 O) 6 Clusters upon Isomer-Selective Vibrational Excitation and Buffer Gas Cooling in a Cryogenic Ion Trap

The formation of isomers when trapping floppy cluster ions in a temperature-controlled ion trap is a generally observed phenomenon. This involves collisional quenching of the ions initially formed at high temperature by buffer gas cooling until their internal energies fall below the barriers in the potential energy surface that separate them. Here we explore the kinetics at play in the case of the two isomers adopted by the H + (H 2 O) 6 cluster ion that differ in the proton accommodation motif. One of these is most like the Eigen cation with a tricoordinated hydronium motif (denoted E), and the other is most like the Zundel ion with the proton equally shared between two water molecules (denoted Z). After initial cooling to about 20 K in the radiofrequency (Paul) trap, the relative populations of these two spectroscopically distinct isomers are abruptly changed through isomer-selective photoexcitation of bands in the OH stretching region with a pulsed (~6 ns) infrared laser while the ions are in the trap. We then monitor the relaxation of the vibrationally excited clusters and reformation of the two cold isomers by recording infrared photodissociation spectra with a second IR laser as a function of delay time from the initial excitation. The latter spectra are obtained after ejecting the trapped ions into a time-of-flight photofragmentation mass spectrometer, thus enabling long (~0.1 s) delay times. Excitation of the Z isomer is observed to display long-lived vibrationally excited states that are collisionally cooled on a ms time scale, some of which quench into the E isomer. These excited E species then display spontaneous interconversion to the Z form on a ~10 ms time scale. Furthermore, these qualitative observations set the stage for a series of experimental measurements that can provide quantitative benchmarks for theoretical simulations of cluster dynamics and the potential energy surfaces that underlie them.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗