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At least 973 records · Page 54

Numerical simulation of a low-emission gas turbine combustor using KIVA-II

A modified version of the KIVA-II code was used to obtain a multidimensional numerical solution for the turbulent two-phase chemically reacting flows inside a staged turbine combustor (STC). The STC under consideration is equipped with an advanced airblast fuel nozzle and encompasses a fuel nozzle (FN), a rich-burn (RB) zone, a converging connecting pipe, a quick-quench (QQ) zone, a diverging connecting pipe, and a lean-combustion (LC) zone. The STC was divided into two subsystems, namely, FN/RB zone and QQ/LC zones, and the numerical solutions were obtained separately for each subsystem. Preliminary data characterize the major features of the flow and temperature fields inside the STC. Information on velocity, temperature, and some critical species in the FN/RB zone is presented. In the QQ/LC zones, formation of the co- and counter-rotating bulk flow and the sandwiched-ring-shaped temperature field can be clearly seen. The calculations of the mass-weighted standard deviation and the pattern factor of temperature indicated that the mixing performance of the STC is very promising.

Yang, S. L.↗

Heat Transfer In High-Temperature Multilayer Insulation

The combined radiation/conduction heat transfer in high-temperature multilayer insulations for typical reentry of reusable launch vehicles from low Earth orbit was investigated experimentally and numerically. The high-temperature multilayer insulation investigated consisted of gold-coated reflective foils separated by alumina fibrous insulation spacers. The steady-state heat transfer through four multilayer insulation configurations was investigated experimentally over the temperature range of 300-1300 K and environmental pressure range of 1.33 10(exp -5)-101.32 kPa. It was shown that including the reflective foils reduced the effective thermal conductivity compared to fibrous insulation sample at 1.5 times the density of the multilayer sample. A finite volume numerical model was developed to solve the governing combined radiation/conduction heat transfer equations. The radiation heat transfer in the fibrous insulation spacers was modeled using the modified two-flux approximation assuming anisotropic scattering and gray medium. The numerical model was validated by comparison with steady-state experimental data. The root mean square deviation between the predicted and measured effective thermal conductivity of the samples was 9.5%.

Daryabeigi, Kamran↗

A Sweeping Jet Application on a High Reynolds Number Semispan Supercritical Wing Configuration

The FAST-MAC circulation control model was modified to test an array of unsteady sweeping-jet actuators at realistic flight Reynolds numbers in the National Transonic Facility at the NASA Langley Research Center. Two types of sweeping jet actuators were fabricated using rapid prototype techniques, and directed over a 15% chord simple-hinged flap. The model was configured for low-speed high-lift testing with flap deflections of 30° and 60°, and a transonic cruise configuration with a 0° flap deflection. For the 30° flap high-lift configuration, the sweeping jets achieved comparable lift performance in the separation control regime, while reducing the mass flow by 54% as compared to steady blowing. However, the sweeping jets were not effective for the 60° flap. For the transonic cruise configuration, the sweeping jets reduced the drag by 3.3% at an off design condition. The drag reduction for the design lift coefficient for the sweeping jets provided only half the drag reduction shown for the steady blowing case (6.5%), but accomplished this with a 74% reduction in mass flow.

Gregory S Jones↗

X-Ray Computed Tomography of Apollo Drive Tube 73001 as Part of the Apollo Next Generation Sample Analysis Program

Introduction: Starting in 2019, the Apollo Next Generation Sample Analysis (ANGSA) Program has enabled consortium studies of specially curated Apollo samples that were previously unstudied (or under studied). This program was intended as a participating scientist program for these Apollo samples, as well as a preparation for upcoming lunar sample return missions (e.g., Artemis). The work began with studies of unsealed core tube 73002 [1,2] that is the upper ~35 cm of an Apollo 17 double drive tube (~70 cm total depth) collected on the landslide deposit near Lara Crater at Station 3 in the Taurus Littrow Valley. More recently the program extended to the study of a variety of frozen Apollo 17 samples [3], as well as the gas extraction [4] and dissection [5] of 73001, the lower half of the station 3 double drive tube. Sample 73001 was sealed under vacuum on the Moon in a Core Sample Vacuum Container (CSVC). In this abstract we will examine the role of X-ray Computed Tomography (XCT) during the preliminary examination process for sealed core 73001, including: (1) engineering scans to aid in understanding the gas extraction process, (2) whole-core scanning prior to opening to inform extrusion and dissection work, and (3) individual particle scanning to characterize rock fragment lithologies for follow on studies. Methodology: Sample 73001 is a 33 cm long, 4 cm diameter regolith sample collected inside a lunar drive tube (~1 mm aluminum walls). That drive tube was sealed inside a 0.5 mm thick stainless steel (SS) CSVC. XCT scans for engineering purposes were done on the Nikon XTH 320 system at Johnson Space Center using the 225 kV multi-metal reflection source at 215 kV, 179 A, and a 38.49 m voxel size. Individual >4 mm particles separated from the core during processing (then triply sealed in Teflon bags) were also scanned at JSC using the 180 kV source at 90 kV, 33 A, and a 2.98 – 10.65 m voxel size. Whole-core scans were done at the University of Texas High-Resolution X-ray Computed Tomography Facility (UTCT) on the 225 kV reflection source on the North Star Imaging cabinet XCT system. These scans included: (1) a series of 9 overlapping super-resolution scans each covering a ~4 cm length of the tube at 190 kV, 180 µA, and a 12.9 µm voxel size and (2) a lower resolution continuous helical scan of the entire core at 190 kV, 180 µA, and a 51.8 µm voxel size. Progress and Results: Before piercing and extracting the gas from sample 73001, an XCT scan of the bottom portion of the CSVC was used to confirm the location of the Teflon cap on the inner drive tube and whether there was an “air” gap between the Teflon cap and the CSVC. This was to ensure the Teflon cap (which immobilized the soil inside the drive tube) was not accidentally pierced during gas extraction. Similarly, after piercing, the bottom and top portions of the CSVC were scanned in order to capture engineering knowledge about the results of the piercing process, as well as the metal knife edge vacuum seal (SS into an In-Ag alloy). Both scans will provide constraints on future work of this type, both for the design of tools used on the lunar surface during Artemis, as well as how we open future samples of this type. An unexpected finding from these engineering scans was that the device in the drive tube that immobilizes the regolith (the keeper) was not seated in the tube properly. This meant that (1) the drive tube could not be removed from the CSVC for the trip to UTCT, and (2) the procedure for opening and extruding the drive tube had to be modified. Had either of these things not been known prior to opening the CSVC, it could have led to an inability to XCT scan the whole core at high resolution and/or potential disruption of the core stratigraphy during extrusion. At UTCT, the entire length of the core was scanned at high resolution (12.9 microns per voxel). This scan serves multiple purposes: (1) A lower resolution (and uncorrected) version of these scans stitched together was used to help inform the processors of potential pitfalls during extrusion and dissection (voids, angular fragments at the edges of the sample, etc.); and (2) the full resolution corrected data will serve as the permanent in situ record of the stratigraphy of the sample and will enable future researchers to perform a variety of analyses. All 121 >4 mm particles separated during dissection pass 1 of sample 73001 have been individually scanned. These scans clearly show the lithology of each particle while keeping the particles in pristine condition (they are individually triply bagged in Teflon within our N2 purged processing cabinets). Because of the dust adhering to particle exteriors, it would otherwise be impossible to determine lithologies in a non-contaminating way. Thus far the types of lithologies seen in sample 73001 (e.g., regolith breccias, impact-melt breccias, agglutinates, and bas-alts) are similar to those previously identified in sample 73002 [2]. By the time of the meeting, all particles from all 3 dissection passes will have been scanned and statistics on the different lithologies in 73001 compiled. References: [1] Shearer et al. (2020) 51st LPSC, abstract 1181. [2] Zeigler et al. (2020) 51st LPSC, abstract 3023. [3] Kent et al. (2022) This Volume. [4] McDonald et al. (2022) European Lunar Symposium. [5] Gross et al (2022) This volume.

Moon↗

Regio‐Regular Polymer Acceptors Enabled by Determined Fluorination on End Groups for All‐Polymer Solar Cells with 15.2 % Efficiency

Abstract Polymerization sites of small molecule acceptors (SMAs) play vital roles in determining device performance of all‐polymer solar cells (all‐PSCs). Different from our recent work about fluoro‐ and bromo‐ co‐modified end group of IC‐FBr (a mixture of IC‐FBr1 and IC‐FBr2), in this paper, we synthesized and purified two regiospecific fluoro‐ and bromo‐ substituted end groups (IC‐FBr‐ o & IC‐FBr‐ m ), which were then employed to construct two regio‐regular polymer acceptors named PYF‐T‐ o and PYF‐T‐ m , respectively . In comparison with its isomeric counterparts named PYF‐T‐ m with different conjugated coupling sites, PYF‐T‐ o exhibits stronger and bathochromic absorption to achieve better photon harvesting. Meanwhile, PYF‐T‐ o adopts more ordered inter‐chain packing and suitable phase separation after blending with the donor polymer PM6, which resulted in suppressed charge recombination and efficient charge transport. Strikingly, we observed a dramatic performance difference between the two isomeric polymer acceptors PYF‐T‐ o and PYF‐T‐ m . While devices based on PM6:PYF‐T‐ o can yield power conversion efficiency (PCE) of 15.2 %, devices based on PM6:PYF‐T‐ m only show poor efficiencies of 1.4 %. This work demonstrates the success of configuration‐unique fluorinated end groups in designing high‐performance regular polymer acceptors, which provides guidelines towards developing all‐PSCs with better efficiencies.

Yu, Han↗

Regio‐Regular Polymer Acceptors Enabled by Determined Fluorination on End Groups for All‐Polymer Solar Cells with 15.2 % Efficiency

Abstract Polymerization sites of small molecule acceptors (SMAs) play vital roles in determining device performance of all‐polymer solar cells (all‐PSCs). Different from our recent work about fluoro‐ and bromo‐ co‐modified end group of IC‐FBr (a mixture of IC‐FBr1 and IC‐FBr2), in this paper, we synthesized and purified two regiospecific fluoro‐ and bromo‐ substituted end groups (IC‐FBr‐ o & IC‐FBr‐ m ), which were then employed to construct two regio‐regular polymer acceptors named PYF‐T‐ o and PYF‐T‐ m , respectively . In comparison with its isomeric counterparts named PYF‐T‐ m with different conjugated coupling sites, PYF‐T‐ o exhibits stronger and bathochromic absorption to achieve better photon harvesting. Meanwhile, PYF‐T‐ o adopts more ordered inter‐chain packing and suitable phase separation after blending with the donor polymer PM6, which resulted in suppressed charge recombination and efficient charge transport. Strikingly, we observed a dramatic performance difference between the two isomeric polymer acceptors PYF‐T‐ o and PYF‐T‐ m . While devices based on PM6:PYF‐T‐ o can yield power conversion efficiency (PCE) of 15.2 %, devices based on PM6:PYF‐T‐ m only show poor efficiencies of 1.4 %. This work demonstrates the success of configuration‐unique fluorinated end groups in designing high‐performance regular polymer acceptors, which provides guidelines towards developing all‐PSCs with better efficiencies.

Yu, Han↗

Mesolytic cleavage of homobenzylic ethers for programmable end-of-life function in redoxmers

Irreparable chemical damage to redox-active monomers, oligomers, and polymers (i.e. redoxmers) limits the lifetime of energy storage devices (e.g. redox flow batteries) by causing electrode and membrane fouling, as well as irreversible capacity loss. To predictably restore device and materials performance, it is desirable to add programmed destruction capabilities into these damage-prone materials. Here, we report the use of triggerable retrograde reactions to achieve programmable end-of-life function in redoxmers. Retrograde reactions are intended to break up damaged redoxmer materials into more soluble small-molecule constituents to prevent irreparably fouling battery interfaces. We investigated the redox-triggered mesolytic cleavage of homobenzylic ethers (HBEs) for this purpose. Combining experimental methods with simulations, we probed the influence of ring substituents on the programmable bond-scission behavior of HBEs. Variation of para-substituents on the HBEs allowed us to modify the oxidation potential, degradation pathway, and electrochemical mechanisms of the generated products. Given its ideal oxidation potential, we selected the para-methoxy-based HBE as the cleavage scaffold and integrated it with dialkoxybenzene, TEMPO, viologen, and para-nitrobenzene redox centers for compatibility, bulk deconstruction, and electrode defouling tests. Upon applying a high oxidation potential, the redox-active pendant is cleaved from the backbone via HBE bonds; of the four redox centers tested, three of them remained fully redox active. Viologen-appended redox active polymers with HBE linkers were cleaved to fully separate the redox centers from the backbone. Polymer-filmed electrodes were partially restored following HBE oxidation defouling. Here these studies highlight the co-design of new materials functions for developing sustainable energy storage materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evaluation of Reduced Order Model for HT-9 Creep and Modifications to Current HT-9 Creep Model in BISON

In order to leverage existing reduced order models (ROM) for the modeling of LANL-developed HT-9 cladding constitutive behavior, mechanistic-based models have been implemented into BISON. It is posited that the increased fidelity of the ROM will show improvement over engineering-scale models in terms of comparison against experimental measurements. INL will assist LANL in implementing an HT9 ROM in BISON. Once the HT-9 mechanistic constitutive model can be leveraged in nuclear performance simulations, the numerical results of fast reactor models will be analyzed and compared against the Fuels Irradiation & Physics Database (FIPD) and separate effects tests to attempt a validation process. INL and LANL will work together to perform any necessary improvement that is identified during the implementation and use processes. Successful completion of the milestone will enable the general use of validated mechanistic ROMs for HT-9 cladding in BISON. This report provides a brief introduction to the Los Alamos Reduced Order Model Applied to Nonlinear Constitutive Equations (LAROMANCE) code, mechanical testing used to illustrate its creep and plastic deformation predictions for HT-9 cladding, and a comparison with existing models implemented into BISON. Current models have been modified to more appropriately account for primary thermal creep and results for corresponding testing are included in this report.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Growth dynamics and cytoskeleton organization during stem maturation and gravity-induced stem bending in Zea mays L

Characterization of gravitropic bending in the maize stem pulvinus, a tissue that functions specifically in gravity responses, demonstrates that the pulvinus is an ideal system for studying gravitropism. Gravistimulation during the second of three developmental phases of the pulvinus induces a gradient of cell elongation across the non-growing cells of the pulvinus, with the most elongation occurring on the lower side. This cell elongation is spatially and temporally separated from normal internodal cell elongation. The three characterized growth phases in the pulvinus correspond closely to a specialized developmental sequence in which structural features typical of cells not fully matured are retained while cell maturation occurs in surrounding internodal and nodal tissue. For example, the lignification of supporting tissue and rearrangement of transverse microtubules to oblique that occur in the internode when cell elongation ceases are delayed for up to 10 d in the adjacent cells of the pulvinus, and only occurs as a pulvinus loses its capacity to respond to gravistimulation. Gravistimulation does not modify this developmental sequence. Neither wall lignification nor rearrangement of transverse microtubules occurs in the rapidly elongating lower side or non-responsive upper side of the pulvinus until the pulvinus loses the capacity to bend further. Gravistimulation does, however, lead to the formation of putative pit fields within the expanding cells of the pulvinus.

Non-NASA Center↗

Structural Analysis Using Computer Based Methods

The stiffness of a flex hose that will be used in the umbilical arms of the Space Launch Systems mobile launcher needed to be determined in order to properly qualify ground umbilical plate behavior during vehicle separation post T-0. This data is also necessary to properly size and design the motors used to retract the umbilical arms. Therefore an experiment was created to determine the stiffness of the hose. Before the test apparatus for the experiment could be built, the structure had to be analyzed to ensure it would not fail under given loading conditions. The design model was imported into the analysis software and optimized to decrease runtime while still providing accurate rest~lts and allow for seamless meshing. Areas exceeding the allowable stresses in the structure were located and modified before submitting the design for fabrication. In addition, a mock up of a deep space habitat and the support frame was designed and needed to be analyzed for structural integrity under different loading conditions. The load cases were provided by the customer and were applied to the structure after optimizing the geometry. Once again, weak points in the structure were located and recommended design changes were made to the customer and the process was repeated until the load conditions were met without exceeding the allowable stresses. After the stresses met the required factors of safety the designs were released for fabrication.

Dietz, Matthew R.↗

Corrosion Behavior of Developmental Iron Phosphate Waste Forms: FY20 Status Report

Corrosion tests were performed to assess the dissolution behaviors of developmental iron phosphate materials that are being evaluated as an alternative to the glass-bonded sodalite ceramic waste form to immobilize salt wastes from electrochemical separation operations. Production of the iron phosphate waste form results in dehalogenation of the waste salt that increases potential waste loading. Ferric oxide is added to the waste form to increase the chemical durability. Tests conducted to optimize the amount of ferric oxide used to make the waste form are summarized in this report. Specimens prepared from materials made with between 17 and 34 mole % ferric oxide were subjected to two test methods to assess the effects of the iron content on the relative durability and retention of immobilized salt cations including cesium, strontium, and neodymium. Modified ASTM C1308 test results show the intrinsic durability was significantly higher for materials made with 27 mol % ferric oxide. Further additions generated iron-rich inclusion phases and did not improve durability. Modified ASTM C1285 test results show that solution feedback attenuates the dissolution rate similar to what is observed for borosilicate glasses within seven days. Analyses of test specimens after 42 days show no evidence that surface layers formed. Combined with previous studies addressing the salt loading, a composition region of the ammonium (di)hydrogen phosphate-waste salt-ferric oxide ternary has been defined for durable waste form compositions. Materials with that composition can be used to determine optimal processing conditions, assess long-term performance, and parameterize a degradation model.

Stariha, S. A.↗

Numerical Simulation of Complex Turbomachinery Flows

An unsteady, multiblock, Reynolds Averaged Navier Stokes solver based on Runge-Kutta scheme and Pseudo-time step for turbo-machinery applications was developed. The code was validated and assessed against analytical and experimental data. It was used to study a variety of physical mechanisms of unsteady, three-dimensional, turbulent, transitional, and cooling flows in compressors and turbines. Flow over a cylinder has been used to study effects of numerical aspects on accuracy of prediction of wake decay and transition, and to modify K-epsilon models. The following simulations have been performed: (a) Unsteady flow in a compressor cascade: Three low Reynolds number turbulence models have been assessed and data compared with Euler/boundary layer predictions. Major flow features associated with wake induced transition were predicted and studied; (b) Nozzle wake-rotor interaction in a turbine: Results compared to LDV data in design and off-design conditions, and cause and effect of unsteady flow in turbine rotors were analyzed; (c) Flow in the low-pressure turbine: Assessed capability of the code to predict transitional, attached and separated flows at a wide range of low Reynolds numbers and inlet freestream turbulence intensity. Several turbulence and transition models have been employed and comparisons made to experiments; (d) leading edge film cooling at compound angle: Comparisons were made with experiments, and the flow physics of the associated vortical structures were studied; and (e) Tip leakage flow in a turbine. The physics of the secondary flow in a rotor was studied and sources of loss identified.

Chernobrovkin, A. A.↗

Phylogeny of the ammonia-producing ruminal bacteria Peptostreptococcus anaerobius, Clostridium sticklandii, and Clostridium aminophilum sp. nov

In previous studies, gram-positive bacteria which grew rapidly with peptides or an amino acid as the sole energy source were isolated from bovine rumina. Three isolates, strains C, FT (T = type strain), and SR, were considered to be ecologically important since they produced up to 20-fold more ammonia than other ammonia-producing ruminal bacteria. On the basis of phenotypic criteria, the taxonomic position of these new isolates was uncertain. In this study, the 16S rRNA sequences of these isolates and related bacteria were determined to establish the phylogenetic positions of the organisms. The sequences of strains C, FT, and SR and reference strains of Peptostreptococcus anaerobius, Clostridium sticklandii, Clostridium coccoides, Clostridium aminovalericum, Acetomaculum ruminis, Clostridium leptum, Clostridium lituseburense, Clostridium acidiurici, and Clostridium barkeri were determined by using a modified Sanger dideoxy chain termination method. Strain C, a large coccus purported to belong to the genus Peptostreptococcus, was closely related to P. anaerobius, with a level of sequence similarity of 99.6%. Strain SR, a heat-resistant, short, rod-shaped organism, was closely related to C. sticklandii, with a level of sequence similarity of 99.9%. However, strain FT, a heat-resistant, pleomorphic, rod-shaped organism, was only distantly related to some clostridial species and P. anaerobius. On the basis of the sequence data, it was clear that strain FT warranted designation as a separate species. The closest known relative of strain FT was C. coccoides (level of similarity, only 90.6%). Additional strains that are phenotypically similar to strain FT were isolated in this study.(ABSTRACT TRUNCATED AT 250 WORDS).

NASA Program Exobiology↗

Thermal Analysis Methods for Aerobraking Heating

As NASA begins exploration of other planets, a method of non-propulsively slowing vehicles at the planet, aerobraking, may become a valuable technique for managing vehicle design mass and propellant. An example of this is Mars Reconnaissance Orbiter (MRO), which will launch in late 2005 and reach Mars in March of 2006. In order to save propellant, MRO will use aerobraking to modify the initial orbit at Mars. The spacecraft will dip into the atmosphere briefly on each orbit, and during the drag pass, the atmospheric drag on the spacecraft will slow it, thus lowering the orbit apoapsis. The largest area on the spacecraft, and that most affected by the heat generated during the aerobraking process, is the solar arrays. A thermal analysis of the solar arrays was conducted at NASA Langley, to simulate their performance throughout the entire roughly 6-month period of aerobraking. Several interesting methods were used to make this analysis more rapid and robust. Two separate models were built for this analysis, one in Thermal Desktop for radiation and orbital heating analysis, and one in MSC.Patran for thermal analysis. The results from the radiation model were mapped in an automated fashion to the Patran thermal model that was used to analyze the thermal behavior during the drag pass. A high degree of automation in file manipulation as well as other methods for reducing run time were employed, since toward the end of the aerobraking period the orbit period is short, and in order to support flight operations the runs must be computed rapidly. All heating within the Patran Thermal model was combined in one section of logic, such that data mapped from the radiation model and aeroheating model, as well as skin temperature effects on the aeroheating and surface radiation, could be incorporated easily. This approach calculates the aeroheating at any given node, based on its position and temperature as well as the density and velocity at that trajectory point. Run times on several different processors, computer hard drives, and operating systems (Windows versus Linux) were evaluated.

Amundsen, Ruth M.↗

SLS Block 1-B and Exploration Upper Stage Navigation System Design

The SLS Block 1B vehicle is planned to extend NASA's heavy lift capability beyond the initial SLS Block 1 vehicle. The most noticeable change for this vehicle from SLS Block 1 is the swapping of the upper stage from the Interim Cryogenic Propulsion stage (ICPS), a modified Delta IV upper stage, to the more capable Exploration Upper Stage (EUS). As the vehicle evolves to provide greater lift capability and execute more demanding missions so must the SLS Integrated Navigation System to support those missions. The SLS Block 1 vehicle carries two independent navigation systems. The responsibility of the two systems is delineated between ascent and upper stage flight. The Block 1 navigation system is responsible for the phase of flight between the launch pad and insertion into Low-Earth Orbit (LEO). The upper stage system assumes the mission from LEO to payload separation. For the Block 1B vehicle, the two functions are combined into a single system intended to navigate from ground to payload insertion. Both are responsible for self-disposal once payload delivery is achieved. The evolution of the navigation hardware and algorithms from an inertial-only navigation system for Block 1 ascent flight to a tightly coupled GPS-aided inertial navigation system for Block 1-B is described. The Block 1 GN&C system has been designed to meet a LEO insertion target with a specified accuracy. The Block 1-B vehicle navigation system is designed to support the Block 1 LEO target accuracy as well as trans-lunar or trans-planetary injection accuracy. This is measured in terms of payload impact and stage disposal requirements. Additionally, the Block 1-B vehicle is designed to support human exploration and thus is designed to minimize the probability of Loss of Crew (LOC) through high-quality inertial instruments and Fault Detection, Isolation, and Recovery (FDIR) logic. The preliminary Block 1B integrated navigation system design is presented along with the challenges associated with meeting the design objectives. This paper also addresses the design considerations associated with the use of Block 1 and Commercial Off-the-Shelf (COTS) avionics for Block 1-B/EUS as part of an integrated vehicle suite for orbital operations.

Oliver, T. Emerson↗

Oxygen and Proton Transport in Flooded Graphene Pores with N-Dopants and Defects

Reactant transport is an important consideration in the design of ideal electrode structures. For the oxygen reduction reaction catalyzed by Pt/C in proton exchange membrane fuel cell cathodes, O 2 and H + delivery to Pt surfaces and H 2 O transport away are required. Some Pt nanoparticles may only be accessible via micropores that are too small for ionomer molecules to enter, possibly requiring flooding for H + transport. Here, to test if these “buried” Pt particles can play a role in activity through this proposed transport mechanism, we have performed atomic-scale simulations based on reactive force field molecular dynamics with an emphasis on confinement below 20 Å. Diffusion coefficients as a function of the molar concentration and local environment have been evaluated in water domains confined in two-dimensional graphene nanochannels of various channel heights representing a morphological model for micropores in proton exchange fuel cell cathodes. Our study shows that local atomic-scale structures can strongly modify H + , O 2 , and H 2 O transport rates in flooded micropores less than 20 Å in size. We find that there is a critical crossover in diffusion behavior around the 20 Å spacing with larger pores having bulk-like diffusion properties and confinement below 20 Å monotonically decreases diffusion rates. As pore size decreases, we observe locally dispersed water regions that ultimately strand reactants from long-distance transport. These findings suggest that flooded micropores may in fact be viable transport pathways for relevant reactants and products if the pore walls on opposite sides remain separated by ≥10 Å separation. Furthermore, the confinement effect is so strong that N-doping and C-vacancy defects in the C pore wall have only a minimal impact on diffusion rates and their effects are counterintuitively more apparent at larger spacings. These findings provide valuable insight regarding cathode performance and the role “stranded” catalyst particles may play in fuel cell cathodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Viscometric and misting properties of polymer-modified fuel

Solutions of polyisobutylenes L160, L200, B200, and B230 in Jet-A were prepared at concentrations up to 3000 ppm. These polymers have molecular weights in the range 5 to 9 x 1,00,000 and have previously been shown to induce anti-misting properties in Jet-A. In connection with the pumpability of such solutions, especially at low temperatures, the shear viscosity, eta, of these solutions was measured at temperatures 25 C, 0 C, and -25 C. Concentration-dependence of eta was very similar for all four polymer solutes, the increase of eta(c) at 3000 ppm being roughly four-fold (relative to Jet-A) for the L-series and five-fold for the B-series. This behavior prevailed at all temperatures, and there was no evidence of phase separation or other chemical instability at -25 C at any concentration. In the more practical c-range for anti-misting applications, say within 1000 ppm, the increase of eta(c) was only twofold.

Grens, E. A., II↗

Final Plenary Session Transcript

Let s start with the report - as you know - when we are talking about flow control it is a multi-disciplinary type of work. So it involves many people and disciplines. This group first discussed the important issues associated with flow control. As you start doing flow control what are the issues to which you really have to start paying attention? That is the first part I am going to present. Then in the second part I will present some challenges - problems that we should really be looking at. So as far as the issues - if you want to control a flow, you really need to understand the flow physics, because anything that you do comes from the flow physics. The design of the controllers, your decisions on the actuators, sensors, reduced order modeling and all of that, would be helped if you understand flow physics. And you have to have a specific objective - what exactly are you controlling? Are you trying to reduce drag, eliminate separation, reduce noise, enhance mixing? So you have to have very specific control objectives. From all the talks we have seen here actuation is extremely important and it is very problem specific. It depends on what problem you are dealing with so you have to design and build actuators for that specific problem. Sensors obviously are very important, especially when you are dealing with feedback control. Consensus was that when you dealing with flow control, you must take an integrated approach; from the beginning you have to take into account every aspect of it and even maybe to modify your experiment, your geometry, to go along with the actuation, sensors and control models. Development of tools is very important in this multi-disciplinary problem. The tools include CFD, reduced order modeling, controller design, understanding and utilizing the instabilities of the flow, etc. So, in order to have success in flow control, we really need to develop these tools.

Gostelow, Paul↗