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At least 73 records · Page 4

Streak Instabilities on HIFiRE-5 Elliptic Cone

The Hypersonic International Flight Research and Experimentation (HIFiRE) 5 flight experiment by the Air Force Research Laboratories and Australian Defense Science and Technology Organization yielded inflight, hypersonic transition data for a canonical, 3D configuration in the form of an elliptic cone at various combinations of angle-of-attack and yaw. Previous analysis has shown that boundary-layer stability calculations for the as-flown, zero-yaw flight conditions are able to capture the second mode dominated transition along the attachment line as well as the crossflow induced transition in between the attachment line and the minor axis symmetry plane. However, there is still a need to understand the transition in the vicinity of the minor axis plane of symmetry, where the boundary layer thickness exhibits an azimuthally compact bulge due to the collision of the secondary flow approaching from the attachment lines on both sides. This paper reports a computational analysis of the stability of the boundary layer flow along the bulge regions on both the leeward and windward sides of the vehicle surface. At a representative flight condition corresponding to a time instant of t = 514.813 seconds, computations are performed to identify several different unstable modes within the bulge regions, with the eventual goal of developing a linear stability correlation for the transition onset near the minor axis symmetry plane. The most amplified flow instabilities in the pretransitional region correspond to a “stem” mode that is concentrated within a pair of nearly vertical shear layers below the cap of the mushroom shaped bulge in the mean velocity contours. An excellent agreement is found between the predictions of instability amplification based on the plane marching parabolized stability equations (PSE) and the direct numerical solutions (DNS). Given the large number of unstable modes within the bulge region, the observed agreement demonstrates, for first time, that the PSE can provide accurate predictions for the development of flow instabilities in streak-like flow features over three-dimensional bodies. The peak N-factor of approximately 15 at the transition location estimated from the thermocouple measurements along the leeward centerline is close to the transition N-factor for Mack mode transition during the HIFiRE-1 circular cone flight experiment with nearly zero degrees angle of attack.

Meelan Choudhari↗

Three-Dimensional Nonequilibrium Boundary Layer Stability & Transition Analysis For Martian Entry

In this work, we apply the boundary layer stability code LASTRAC, modified to include chemical and thermal nonequilibrium capabilities, to a simulated test case based on literature, with three-dimensional effects. LASTRAC provides Parabolized Stability Equations (PSE)as well as Linear Stability Theory (LST) to predict the stability of a boundary layer and transition with semiempirical eN methods. Tests of the Mars Science Laboratory (MSL)indicated a range of laminar to transitional flow conditions. In order to reduce the weight of Thermal Protection Systems (TPS), reliable prediction of transition and an understanding of the environmental factors that contribute to transition are necessary. This work is a step towards addressing this need, including the effects of thermochemical nonequilibrium but neglecting radiation, ablation, and ionization effects. Our results indicate that an oblique first mode produces maximum N-Factors on the symmetry plane, however with N-Factors too small to explain transition. Although we are able to show nonequilibrium three-dimensional PSE results inCO2, further study with improved mean flow solutions, accounting for some of the uncertainties inherent in this analysis, or evaluation of alternative transition mechanisms is needed to explain transition in the wind tunnel cases examined here.

H L Kline↗

Boundary Layer Stability and Transition in a Chemically Reacting Martian Atmosphere using LASTRAC

The Thermal Protection System (TPS) is a significant portion of the mass of reentry vehicles, planetary probes, and Martian entry vehicles. Reducing this mass has benefits in terms of decreased fuel requirements and increased payload; however, due to the high risk and un-certainty, the TPS or heat shields are designed conservatively by assuming fully turbulent flow. Laminar flow results in reduced heat flux, and improved transition prediction has the potential to reduce TPS mass and uncertainty in aerothermodynamic predictions. Limited previous research exists examining the problem of transition prediction for Martian atmospheric entry, with studies available on transition on the Mars Science Laboratory TPS. Although transition was demonstrated in wind-tunnel tests, uncertainty in the transition location resulted in a TPS designed for fully turbulent flow, and therefore greater mass than required for a partially-laminar condition. In this work, we extend the boundary layer stability code LASTRAC, recently modified to include chemical and thermal nonequilibrium capabilities, to a model of the Martian atmosphere. LASTRAC provides Parabolized Stability Equations (PSE) as well as Linear Stability Theory (LST) to predict the stability of a boundary layer and transition with semi-empirical eN methods. Results included in this work compare disturbance growth characteristics between air and Martian atmosphere at similar nondimensional freestream conditions on a simple flat plate geometry. Both chemical nonequilibrium and thermochemical nonequilibrium, as well as both PSE and LST, are used.

Heather L Kline↗

Combined Bluntness and Roughness Effects on Cones at Hypersonic Speeds

This computational study investigates the effects of discrete roughness elements on a blunt cone at zero degrees angle of attack in a Mach 6 flow. Motivation was provided by experiments conducted in the Air Force Research Laboratory Mach 6 High Reynolds Number facility on a 7-degree half-angle cone with a roughness array located at 45 degrees from the apex on two nose tips of different blutness but equivalent roughness Reynolds number. Transition was only affected on the blunter cone, indicating that the transition onset is associated with the combined effects of bluntness and roughness. The present study investigates the 15.24 mm nose radius, 420 azimuthal wavenumber case via Navier-Stokes computations of the laminar base flow and instability analysis. Plane-marching parabolized stability equations (PSE) and inflow-resolvent analysis based on the three-dimensional, harmonic linearized Navier-Stokes equations (HLNSE) are used to calculate the amplification of disturbances along the roughness wake as well as over the roughness nearfield. Results show that the roughness shape can have a great impact on the characteristics of the most amplified wake instabilities. For the experimental configuration with cubic roughness elements of 15 μ m height, the flow is marginally unstable. For prismatic elements of 20 μ m height, the PSE predicts a logarithmic disturbance amplification ratio of N = 5.6 along its wake, but this ratio increases to N = 9.6 when the amplification over the roughness and separation regions is included in the inflow-resolvent analysis.

Boundary-layer transition↗

Combined Bluntness and Roughness Effects on Cones at Hypersonic Speeds

This computational study investigates the effects of discrete roughness elements on a blunt cone at zero degrees angle of attack in a Mach 6 flow. Motivation was provided by experiments conducted in the Air Force Research Laboratory Mach 6 High Reynolds Number facility on a 7-degree half-angle cone with a roughness array located at 45 degrees from the apex on two nose tips of different blutness but equivalent roughness Reynolds number. Transition was only affected on the blunter cone, indicating that the transition onset is associated with the combined effects of bluntness and roughness. The present study investigates the 15.24 mm nose radius, 420 azimuthal wavenumber case via Navier-Stokes computations of the laminar base flow and instability analysis. Plane-marching parabolized stability equations (PSE) and inflow-resolvent analysis based on the three-dimensional, harmonic linearized Navier-Stokes equations (HLNSE) are used to calculate the amplification of disturbances along the roughness wake as well as over the roughness nearfield. Results show that the roughness shape can have a great impact on the characteristics of the most amplified wake instabilities. For the experimental configuration with cubic roughness elements of 15 μ m height, the flow is marginally unstable. For prismatic elements of 20 μ m height, the PSE predicts a logarithmic disturbance amplification ratio of N = 5.6 along its wake, but this ratio increases to N = 9.6 when the amplification over the roughness and separation regions is included in the inflow-resolvent analysis.

Boundary-layer transition↗

Ground Tests on the BOLT Geometry at Mach 7: Cross-Facility Comparison and Stability Analysis

Transition measurements have been obtained through two experimental campaigns conducted independently by the German Aerospace Center and the French Aerospace Lab with the French Alternative Energies and Atomic Energy Commission on subscale models of the BOLT-1 flight experiment geometry. This paper details a cross-facility comparison of measurements obtained at Mach 7, as well as subsequent computational analysis. Infrared (IR) thermography measurements obtained by both campaigns have facilitated a global comparison of the transition front across facilities at analagous conditions, which are found to be in good agreement. High-frequency surface pressure fluctuation data demonstrate significant amplification of instabilities with Mack-mode characteristics in the outboard regions of the acreage. These measurements are compared to stability analyses of varying fidelity. The computational methods employed to characterize the boundary-layer transition phenomena include the traditional line-marching implementation of the Parabolized Stability Equations (PSE), 2D eigenvalue analysis coupled with PSE, and Adaptive Mesh Refinement Wavepacket Tracking. While the 2D eigenvalue analysis is found to predict instabilities, which correlate in terms of frequency and acreage location to the experimental measurements, the predicted amplification for these instabilities is lower than would typically be expected for transition. Line-marching results for traveling crossflow produce the best match to the experimental transition front, with a consistent transition N factor of approximately 3-3.5.

Boundary Layer Transition↗

Cobalt‐Doped Bismuth Nanosheet Catalyst for Enhanced Electrochemical CO 2 Reduction to Electrolyte‐Free Formic Acid

Electrochemical carbon dioxide (CO 2 ) reduction reaction (CO 2 RR) to valuable liquid fuels, such as formic acid/formate (HCOOH/HCOO − ) is a promising strategy for carbon neutrality. Enhancing CO 2 RR activity while retaining high selectivity is critical for commercialization. To address this, we developed metal-doped bismuth (Bi) nanosheets via a facile hydrolysis method. These doped nanosheets efficiently generated high-purity HCOOH using a porous solid electrolyte (PSE) layer. Among the evaluated metal-doped Bi catalysts, Co-doped Bi demonstrated improved CO 2 RR performance compared to pristine Bi, achieving ~90 % HCOO − selectivity and boosted activity with a low overpotential of ~1.0 V at a current density of 200 mA cm −2 . In a solid electrolyte reactor, Co-doped Bi maintained HCOOH Faradaic efficiency of ~72 % after a 100-hour operation under a current density of 100 mA cm −2 , generating 0.1 M HCOOH at 3.2 V. Density functional theory (DFT) results revealed that Co-doped Bi required a lower applied potential for HCOOH generation from CO 2 , due to stronger binding energy to the key intermediates OCHO* compared to pure Bi. In conclusion, this study shows that metal doping in Bi nanosheets modifies the chemical composition, element distribution, and morphology, improving CO 2 RR catalytic activity performance by tuning surface adsorption affinity and reactivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Model-based economic analysis under uncertainty for PFAS treatment by granular activated carbon and ion exchange technologies

Recent drinking water regulations have imposed the need for per- and polyfluoroalkyl substances (PFAS) remediation. In response, treatment facilities may be required to retrofit existing treatment schemes to treat PFAS below maximum contaminant levels (MCLs). Adsorption technologies such as granular activated carbon (GAC) and ion exchange (IX) have been demonstrated to be effective; however, there are limited techno-economic metrics available which provide guidance on technology selection and design for diverse PFAS-containing source water conditions. Process systems engineering (PSE) tools which can traditionally perform these analyses are hindered by the data availability, model validity, and understanding of treatment phenomena for emerging contaminants. This work employs published data regressions, statistical models, process models, techno-economic analyses, and other process systems tools in a model-based uncertainty framework to consider the limitations of emerging contaminant research. Through this analysis framework, economic results are provided as probabilistic distributions based on the uncertainty of the models and diverse conditions that treatment facilities experience.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Selective and Stable Ethanol Synthesis via Electrochemical CO 2 Reduction in a Solid Electrolyte Reactor

Electrochemical CO 2 reduction to ethanol faces challenges such as low selectivity, a product mixture with liquid electrolyte, and poor catalyst/reactor stability. Here, we developed a grain-rich zinc-doped Cu 2 O precatalyst that presented a high ethanol Faradaic efficiency of over 40% under a current density of 350 mA·cm –2 . Our density functional theory (DFT) simulation suggested that Zn atoms inside the structure have a greater carbophilicity than the Cu atoms to help facilitate *CHCHO formation, a key reaction intermediate toward ethanol instead of other C 2 products. Here, a high Faradaic efficiency ratio between ethanol and ethylene (FE EtOH /FE C2H4 ) reached 2.34 in the zinc-doped Cu 2 O precatalyst, representing an over 4-fold improvement compared to bare Cu 2 O precatalyst. By integrating this Cu-based catalyst into a porous solid electrolyte (PSE) reactor with a salt-managing design, we achieved stable ethanol production for over 180 h under a current density of 250 mA·cm –2 while maintaining ethanol selectivity at ~30%.

09 BIOMASS FUELS↗

Optimization of Desalination Systems with Detailed Water Chemistry through Integration of Reaktoro in WaterTAP

Chemistry predictions are critical for an accurate estimation of performance and costs in desalination process models, which allows for the estimation of the value of new technologies and the viability of treating new water sources. Herein, we present how an implicit function formulation can be used to integrate the chemical modeling package, Reaktoro, into the techno-economic assessment and modeling platform, WaterTAP. This approach resolves the critical issues of integrating large-scale thermodynamic models and databases into equation-oriented process models while allowing more flexibility relative to previously presented surrogate-based methods. We describe how this integration into Pyomo and WaterTAP models is implemented and used through the open-source package Reaktoro-PSE . We first validate this integration approach by performing optimization on a previously presented desalination treatment train with softening and acid addition as the pretreatment steps. Then, to demonstrate the value of this approach, we extend the cost-optimization problem to include the simultaneous addition of lime and soda ash for softening, and HCl and H 2 SO 4 in the acidification steps. Finally, we were able to confirm the previously established results that were obtained by using surrogate models and demonstrate that the implicit function approach enables exploration of different feedwater compositions and a larger number of chemicals and their combinations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Optimal experimental design using eigenvalue-based criteria with Pyomo.DoE

New developments in automated optimal experimental design within the PSE+ software ecosystem. Advancements in user experience (to reduce the time taken to perform optimal experiment design) and computational capabilities (allowing more diverse experimental design) are shown with an example relevant to critical minerals and materials. Also, a small tutorial on science-based optimal experimental design and novel contributions therein are presented.

97 MATHEMATICS AND COMPUTING↗

Energy Transitions Initiative Partnership Project: Bainbridge Island, Washington: Cohort 2 Technical Assistance: Improving Resilience

The City of Bainbridge Island (COBI) applied for and received technical assistance from the Energy Transitions Initiative Partnership Program (ETIPP) in part to achieve their goal of 100% renewable electricity generation by 2040, five years ahead of the Washington State goal. Their second goal of increasing energy resilience is discussed in this report. Pacific Northwest National Laboratory (PNNL) completed the technical analysis aspects of the project, supported by the community partner Spark Northwest and the program administrator, the National Renewable Energy Laboratory (NREL). PNNL worked with the Community Lead and stakeholders to ensure selection of hazards and energy infrastructure of highest priority and integration of existing expertise into the analysis. We have also worked to align analysis with current activities conducted by Puget Sound Energy (PSE), and other efforts within the Bainbridge Island community around resilience. This report, conducted under the ETIPP project in partnership with COBI, aims to build on this existing knowledge base with a specific energy focus, to identify hazards and threats to critical energy infrastructure, summarize the risk, and identify and analyze remaining resilience gaps.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Process systems engineering enables efficient and sustainable membrane-based critical material separations

This presentation summarizes work completed over the past year for PrOMMiS Task 2.1. The first half of the preseation motivates the need to develop sustainable critical mineral separation technology, and how PSE is particularly well-suited to tackle this problem. The second half of the presentation presents preliminary results for the custom cost model for diafiltration (2.1) using the superstructure flowsheet developed by Carnegie Mellon University. The presentation serves to emphasize the multi-disciplinary and collaborate nature of developing a circular economy of critical minerals and materials.

Dougher, Molly↗

Process Systems Engineering-Informed Design and Scale-Up of Multi-stage Diafiltration Cascades for Lithium and Cobalt Recovery from Spent Lithium-Ion Batteries

These slides present work jointly completed by Tasks in PrOMMiS. The first half of the presentation motivates the importance of critical materials for national security and how the recovery of critical minerals via membrane separations can be more cost effective than currently used technology. The second half of the presentation presents cost-optimal results for the custom cost model for diafiltration using the superstructure flowsheet developed by CMU. These results highlight how PSE can inform process targets (i.e., product purity targets) and suitable design strategies for scaled-up membrane cascades.

critical materials↗

Opportunities for Process Intensification with Membranes to Promote Circular Economy Development for Critical Minerals

Critical minerals are essential to the future of clean energy, especially energy storage, electric vehicles, and advanced electronics. In this paper, we argue that process systems engineering (PSE) paradigms provide essential frameworks for enhancing the sustainability and efficiency of critical mineral processing pathways. As a concrete example, we review challenges and opportu-nities across material-to-infrastructure scales for process intensification (PI) with membranes. Within critical mineral processing, there is a need to reduce environmental impact, especially con-cerning chemical reagent usage. Feed concentrations and product demand variability require flex-ible, intensified processes. Further, unique feedstocks require unique processes (i.e., no one-size-fits-all recycling or refining system exists). Membrane materials span a vast design space that allows significant optimization. Therefore, there is a need to rapidly identify the best opportunities for membrane implementation, thus informing materials optimization with process and infrastructure scale performance targets. Finally, scale-up must be accelerated and de-risked across the materials-to-process levels to fully realize the opportunity presented by membranes, thereby fostering the development of a circular economy for critical minerals. Tackling these challenges requires integrating efforts across diverse disciplines. We advocate for a holistic molecular-to-systems perspective for fully realizing PI with membranes to address sustainability challenges in critical mineral processing. The opportunities for PI with membranes are excellent applications for emerging research in machine learning, data science, automation, and optimization.

Dougher, Molly↗

Apollo 15 surface science summary.

The Apollo 15 mission was the fourth manned lunar landing and the northernmost location yet visited. The landing site on the southeastern edge of the Imbrium Basin afforded the opportunity of studying several unique lunar features, the Apennine Mountains, Hadley Rille, and the Imbrium Basin fill. Detailed geological study of the data returned from the mission provided new insight into the structure and history of the Basin. A third Apollo Lunar Surface Experiment Package was deployed during the mission containing seven experiments: Passive Seismometer (PSE), Heat Flow (HFE), Surface Magnetometer (LSM), Suprathermal Ion Detector (SIDE), Cold Cathode Gauge (CCGE), Solar Wind Spectrometer (SWS), and a Dust Detector. We have been able to triangulate on the sources of moonquakes and to observe simultaneous nighttime and daytime changes in the moon's magnetic field, solar wind flux, and the neutral and ionized components of the moon's tenuous atmosphere.

Beattie, D. A.↗

Compressible stability of growing boundary layers using parabolized stability equations

The parabolized stability equation (PSE) approach is employed to study linear and nonlinear compressible stability with an eye to providing a capability for boundary-layer transition prediction in both 'quiet' and 'disturbed' environments. The governing compressible stability equations are solved by a rational parabolizing approximation in the streamwise direction. Nonparallel flow effects are studied for both the first- and second-mode disturbances. For oblique waves of the first-mode type, the departure from the parallel results is more pronounced as compared to that for the two-dimensional waves. Results for the Mach 4.5 case show that flow nonparallelism has more influence on the first mode than on the second. The disturbance growth rate is shown to be a strong function of the wall-normal distance due to either flow nonparallelism or nonlinear interactions. The subharmonic and fundamental types of breakdown are found to be similar to the ones in incompressible boundary layers.

Chang, Chau-Lyan↗

On the wall-normal velocity of the compressible boundary-layer equations

Numerical methods for the compressible boundary-layer equations are facilitated by transformation from the physical (x,y) plane to a computational (xi,eta) plane in which the evolution of the flow is 'slow' in the time-like xi direction. The commonly used Levy-Lees transformation results in a computationally well-behaved problem for a wide class of non-similar boundary-layer flows, but it complicates interpretation of the solution in physical space. Specifically, the transformation is inherently nonlinear, and the physical wall-normal velocity is transformed out of the problem and is not readily recovered. In light of recent research which shows mean-flow non-parallelism to significantly influence the stability of high-speed compressible flows, the contribution of the wall-normal velocity in the analysis of stability should not be routinely neglected. Conventional methods extract the wall-normal velocity in physical space from the continuity equation, using finite-difference techniques and interpolation procedures. The present spectrally-accurate method extracts the wall-normal velocity directly from the transformation itself, without interpolation, leaving the continuity equation free as a check on the quality of the solution. The present method for recovering wall-normal velocity, when used in conjunction with a highly-accurate spectral collocation method for solving the compressible boundary-layer equations, results in a discrete solution which is extraordinarily smooth and accurate, and which satisfies the continuity equation nearly to machine precision. These qualities make the method well suited to the computation of the non-parallel mean flows needed by spatial direct numerical simulations (DNS) and parabolized stability equation (PSE) approaches to the analysis of stability.

Pruett, C. David↗