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At least 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Comment on 'Guidance for an Aerocapture Maneuver

It is stated that the aerodynamic forces on the vehicle being aerocaptured are controlled by "altering the angle of attack" and thereby controlling the lift coefficient. Furthermore, the resulting variation of drag coefficient with angle of attack was ignored. The purpose of this Comment is to point out that an aerodynamic control method that is much more effective than the pitch modulation has been studied and utilized during entries for many years. During aerocapture, it is desirable to have a large range of lift coefficients available, while keeping the vehicle's ballistic coefficients constant. This is accomplished by modulating the vehicle's bank angle, i.e., by rolling the vehicle about its velocity vector. By this method, the angle of attack can be held constant (at the trim angle, if desired), and the C(sub D) and the ballistic coefficient remain constant. Furthermore, the vertical component of the normal force vector (essentially the lift) can be varied over its entire range, from maximum positive to maximum negative values. Reaction controls, rather than aerodynamic ones, are usually utilized to change the bank angle of the vehicle, thus requiring the use of fuel. However, the fuel expenditure that is required to change the bank angle is far less than the amount that would have to be used to continuously hold the vehicle at pitch angles that differ significantly from its trim angle of attack. Also, it has been shown that bank angle modulation to vary the lift can enlarge the entry corridor by increasing the entry angle for the undershoot boundary, where both the heating rate and deceleration reach a maximum. Finally, the crew's deceleration tolerance can be increased somewhat when the bank angle is varied, as opposed to the pitch angle. For bank modulation, the deceleration force vector can be kept at a constant angle with respect to the occupants whose tolerance to g loads is highest when the force is applied in a direction normal to the upper torso. The advantages of bank angle variation to modulate the lift vector were recognized long ago, and this method of control was used successfully on the Apollo command module during lunar return' and, more recently, for the Space Shuttle Orbiter.

Tauber, Michael E.↗
NASA NTRS1972

Apollo 16 Mission Anomaly Report No. 1: Oxidizer Deservicing Tank Failure

The command module reaction control system is emptied of all remaining propellant using ground support equipment designed to provide an acid/base neutralization of the propellant in both the liquid and gaseous phases so that it may be disposed of safely. During the deactivation operation of the oxidizer from the Apollo 16 command module on 7 May 1972, the scrubber tank of the decontamination unit exploded, destroying the ground support equipment unit and damaging the building that housed the operation. Only minor injuries were received by the personnel in the area and the command module was not damaged. Test results show that the failure was caused by an insufficient quantity of neutralizer for the quantity of oxidizer. This insufficiency lead to exothermic nitration-type reactions which produced large quantities of gas at a very high rate and failed the decontamination tank.

Source record↗
NASA NTRS2016

Green Propellant Test Capabilities of the Altitude Combustion Stand at the NASA Glenn Research Center

The NASA Glenn Research Center (GRC) is committed to providing simulated altitude rocket test capabilities to NASA programs, other government agencies, private industry partners, and academic partners. A primary facility to support those needs is the Altitude Combustion Stand (ACS). ACS provides the capability to test combustion components at a simulated altitude up to 100,000 ft. (approx.0.2 psia/10 Torr) through a nitrogen-driven ejector system. The facility is equipped with an axial thrust stand, gaseous and cryogenic liquid propellant feed systems, data acquisition system with up to 1000 Hz recording, and automated facility control system. Propellant capabilities include gaseous and liquid hydrogen, gaseous and liquid oxygen, and liquid methane. A water-cooled diffuser, exhaust spray cooling chamber, and multi-stage ejector systems can enable run times up to 180 seconds to 16 minutes. The system can accommodate engines up to 2000-lbf thrust, liquid propellant supply pressures up to 1800 psia, and test at the component level. Engines can also be fired at sea level if needed. The NASA GRC is in the process of modifying ACS capabilities to enable the testing of green propellant (GP) thrusters and components. Green propellants are actively being explored throughout government and industry as a non-toxic replacement to hydrazine monopropellants for applications such as reaction control systems or small spacecraft main propulsion systems. These propellants offer increased performance and cost savings over hydrazine. The modification of ACS is intended to enable testing of a wide range of green propellant engines for research and qualification-like testing applications. Once complete, ACS will have the capability to test green propellant engines up to 880 N in thrust, thermally condition the green propellants, provide test durations up to 60 minutes depending on thrust class, provide high speed control and data acquisition, as well as provide advanced imaging and diagnostics such as infrared (IR) imaging.

Testing↗
DOE OSTI2024

Metal-Tuned Ligand Reactivity Enables CX 2 (X = O, S) Homocoupling with Spectator Cu Centers

Ligand non-innocence is ubiquitous in catalysis with ligands in synthetic complexes contributing as electron reservoirs or co-sites for substrate activation. The latter chemical non-innocence is manifested in H + storage or relay at sites beyond the metal primary coordination sphere. Reaction of a competent CO 2 -to-oxalate reduction catalyst, namely, [K(THF) 3 ](Cu 3 SL), where L 3– is a tris(β-diketiminate) cyclophane, with CS 2 affords tetrathiooxalate at long reaction times or at high CS 2 concentrations, where otherwise an equilibrium is established between the starting species and a complex–CS 2 adduct in which the CS 2 is bound to the C atom on the ligand backbone. X-ray diffraction analysis of this adduct reveals no apparent metal participation, suggesting an entirely ligand-based reaction controlled by the charge state of the cluster. Here, thermodynamic parameters for the formation of the aforementioned Cligand–CS 2 bond were experimentally determined, and trends with cation Lewis acidity were studied, where more acidic cations shift the equilibrium toward the adduct. Relevance of such an adduct in the reduction of CO 2 to oxalate by this complex is supported by DFT studies, similar effects of countercation Lewis acidity on product formation, and the homocoupled heterocumulene product speciation as determined by isotopic labeling studies. Taken together, this system extends chemical non-innocence beyond H + to effect catalytic transformations involving C–C bond formation and represents the rarest example of metal–ligand cooperativity, that is, spectator metal ion(s) and the ligand as the reaction center.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Supramolecular Tuning Enables Selective Oxygen Reduction Catalyzed by Cobalt Porphyrins for Direct Electrosynthesis of Hydrogen Peroxide

Abstract We report a supramolecular strategy for promoting the selective reduction of O 2 for direct electrosynthesis of H 2 O 2 . We utilized cobalt tetraphenylporphyrin (Co‐TPP), an oxygen reduction reaction (ORR) catalyst with highly variable product selectivity, as a building block to assemble the permanently porous supramolecular cage Co‐PB‐1(6) bearing six Co‐TPP subunits connected through twenty‐four imine bonds. Reduction of these imine linkers to amines yields the more flexible cage Co‐rPB‐1(6). Both Co‐PB‐1(6) and Co‐rPB‐1(6) cages produce 90–100 % H 2 O 2 from electrochemical ORR catalysis in neutral pH water, whereas the Co‐TPP monomer gives a 50 % mixture of H 2 O 2 and H 2 O. Bimolecular pathways have been implicated in facilitating H 2 O formation, therefore, we attribute this high H 2 O 2 selectivity to site isolation of the discrete molecular units in each supramolecule. The ability to control reaction selectivity in supramolecular structures beyond traditional host–guest interactions offers new opportunities for designing such architectures for a broader range of catalytic applications.

Smith, Peter T.↗
DOE OSTI2020

Supramolecular Tuning Enables Selective Oxygen Reduction Catalyzed by Cobalt Porphyrins for Direct Electrosynthesis of Hydrogen Peroxide

Abstract We report a supramolecular strategy for promoting the selective reduction of O 2 for direct electrosynthesis of H 2 O 2 . We utilized cobalt tetraphenylporphyrin (Co‐TPP), an oxygen reduction reaction (ORR) catalyst with highly variable product selectivity, as a building block to assemble the permanently porous supramolecular cage Co‐PB‐1(6) bearing six Co‐TPP subunits connected through twenty‐four imine bonds. Reduction of these imine linkers to amines yields the more flexible cage Co‐rPB‐1(6). Both Co‐PB‐1(6) and Co‐rPB‐1(6) cages produce 90–100 % H 2 O 2 from electrochemical ORR catalysis in neutral pH water, whereas the Co‐TPP monomer gives a 50 % mixture of H 2 O 2 and H 2 O. Bimolecular pathways have been implicated in facilitating H 2 O formation, therefore, we attribute this high H 2 O 2 selectivity to site isolation of the discrete molecular units in each supramolecule. The ability to control reaction selectivity in supramolecular structures beyond traditional host–guest interactions offers new opportunities for designing such architectures for a broader range of catalytic applications.

Smith, Peter T.↗
NASA NTRS2004

Causes and Mitigation of Fuel Pilot Operated Valve Pilot Seal Extrusion in Space Shuttle Orbiter Primary RCS Thrusters

Extrusion of a polytetrafluoroethylene (PTFE) pilot seal located in the Space Shuttle Orbiter Primary Reaction Control Subsystem (PRCS) thruster fuel valve has been implicated in 68 ground and on-orbit fuel valve failures. A rash of six extrusion-related in-flight anomalies over a six-mission span from December 2001 to October 2002 led to heightened activity at various NASA centers, and the formation of a multidisciplinary team to solve the problem. Empirical and theoretical approaches were used. For example, thermomechanical analysis (TMA) and exposure tests showed that some extrusion is produced by thermal cycling; however, a review of thruster service histories did not reveal a strong link between thermal cycling and extrusion. Calculations showed that the amount of observed extrusion often exceeded the amount allowed by thermally-induced stress relief. Failure analysis of failed hardware also revealed the presence of fuel-oxidizer reaction product (FORP) inside the fuel valve pilot seal cavity, and differential scanning calorimetry (DSC) showed that the FORP was intimately associated with the pilot seal material. Component-level exposure tests showed that FORP of similar composition could be produced by adjacent oxidizer valve leakage in the absence of thruster firing. Specific gravity data showed that extruded fuel valve pilot seals were less dense than new pilot seals or oxidizer valve pilot seals, indicating permanent modification of the PTFE occurred during service. It is concluded that some thermally-induced extrusion is unavoidable; however, oxidizer leakage-induced extrusion is mostly avoidable and can be mitigated. Several engineering level mitigation strategies are discussed.

Waller, Jess M.↗
NASA NTRS2001

The Oxidation Kinetics of Continuous Carbon Fibers in a Cracked Ceramic Matrix Composite

Experimental observations and results suggest two primary regimes as a function of temperature, i.e., diffusion and reaction controlled kinetics. Thermogravimetric analysis of carbon fiber in flowing oxygen gave an activation energy of 64.1 kJ/mol in the temperature range of 500 to 600 C and an apparent activation energy of 7.6 kJ/mol for temperatures from 600 to 1400 C. When C/SiC composite material was unstressed, matrix effects at temperatures from 900 to 1400 C protected the internal fibers. When under stress, self-protection was not observed. Increasing the stress from 10 to 25 ksi caused a 67 to 82 percent reduction in times to failure at temperatures from 750 to 1500 C. Based on experimental results, observation, and theory, a finite difference model was developed, which simulates the diffusion of oxygen into a matrix crack that is bridged by carbon fibers. The model allows the influence of important variables on oxidation kinetics to be studied systematically, i.e., temperature, reaction rate constant, diffusion coefficient, environment, and sample geometry.

Halbig, Michael C.↗
NASA NTRS2013

HESTIA Commodities Exchange Pallet and Sounding Rocket Test Stand

During my Spring 2016 internship, my two major contributions were the design of the Commodities Exchange Pallet and the design of a test stand for a 100 pounds-thrust sounding rocket. The Commodities Exchange Pallet is a prototype developed for the Human Exploration Spacecraft Testbed for Integration and Advancement (HESTIA) program. Under the HESTIA initiative the Commodities Exchange Pallet was developed as a method for demonstrating multi-system integration thru the transportation of In-Situ Resource Utilization produced oxygen and water to a human habitat. Ultimately, this prototype's performance will allow for future evaluation of integration, which may lead to the development of a flight capable pallet for future deep-space exploration missions. For HESTIA, my main task was to design the Commodities Exchange Pallet system to be used for completing an integration demonstration. Under the guidance of my mentor, I designed, both, the structural frame and fluid delivery system for the commodities pallet. The fluid delivery system includes a liquid-oxygen to gaseous-oxygen system, a water delivery system, and a carbon-dioxide compressors system. The structural frame is designed to meet safety and transportation requirements, as well as the ability to interface with the ER division's Portable Utility Pallet. The commodities pallet structure also includes independent instrumentation oxygen/water panels for operation and system monitoring. My major accomplishments for the commodities exchange pallet were the completion of the fluid delivery systems and the structural frame designs. In addition, parts selection was completed in order to expedite construction of the prototype, scheduled to begin in May of 2016. Once the commodities pallet is assembled and tested it is expected to complete a fully integrated transfer demonstration with the ISRU unit and the Environmental Control and Life Support System test chamber in September of 2016. In addition to the development of the Commodities Exchange Pallet, I also assisted in preparation for testing the upper stage of a sounding rocket developed as a Center Innovation Fund project. The main objective of this project is to demonstrate the integration between a propulsion system and a solid oxide fuel cell (SOFC). The upper stage and SOFC are scheduled to complete an integrated test in August of 2016. As part of preparation for scheduled testing, I was responsible for designing the upper stage's test stand/support structure and main engine plume deflector to be used during hot-fire testing (fig. 3). The structural components of the test stand need to meet safety requirements for operation of the propulsion system, which consist of a 100 pounds-thrust main engine and two 15 pounds-thrust reaction control thrusters. My main accomplishment for this project was the completion of the design and the parts selection for construction of the structure, scheduled to begin late April of 2016.

Chaparro, Javier↗
NASA NTRS1959

A Concept of a Manned Satellite Reentry Which is Completed with a Glide Landing

A concept for a manned satellite reentry from a near space orbit and a glide landing on a normal size airfield is presented. The reentry vehicle configuration suitable for this concept would employ a variable geometry feature in order that the reentry could be made at 90 deg. angle of attack and the landing could be made with a conventional glide approach. Calculated results for reentry at a flight-path angle of -1 deg. show that with an accuracy of 1 percent in the impulse of a retrorocket, the desired flight-path angle at reentry can be controlled within 0.02 deg. and the distance traveled to the reentry point, within 100 miles. The reentry point is arbitrarily defined as the point at which the satellite passes through an altitude of about 70 miles. Misalignment of the retrorocket by 10 deg. increased these errors by as much as 0.02 deg. and 500 miles. Intra-atmospheric trajectory calculations show that pure drag reentries starting with flight-path angles of -1 deg. or less produce a peak deceleration of 8g. Lift created by varying the angle of attack between 90 and 60 deg. is effective in decreasing the maximum deceleration and allows the range to the "recovery" point (where transition is made from reentry to gliding flight) to be increased by as much as 2,300 miles. A sideslip angle of 30 deg. allows lateral displacement of the flight path by as much as 60 deg. miles. Reaction controls would provide control-attitude alignment during the orbit phase. For the reentry phase this configuration should have low static longitudinal and roll stability in the 90 deg. angle-of-attack attitude. Control could be effected by leading-edge and trailing-edge flaps. Transition into the landing phase would be accomplished at an altitude of about 100,000 feet by unfolding the outer wing panels and pitching over to low angles of attack. Calculations indicate that glides can be made from the recovery point to airfields at ranges of from 150 to 200 miles, depending upon the orientation with respect to the original course.

Cheatham, Donald C.↗
NASA NTRS2012

NASA Tech Briefs, May 2012

Topics covered include: An "Inefficient Fin" Non-Dimensional Parameter to Measure Gas Temperatures Efficiently; On-Wafer Measurement of a Multi-Stage MMIC Amplifier with 10 dB of Gain at 475 GHz; Software to Control and Monitor Gas Streams; Miniaturized Laser Heterodyne Radiometer (LHR) for Measurements of Greenhouse Gases in the Atmospheric Column; Anomaly Detection in Test Equipment via Sliding Mode Observers; Absolute Position of Targets Measured Through a Chamber Window Using Lidar Metrology Systems; Goldstone Solar System Radar Waveform Generator; Fast and Adaptive Lossless Onboard Hyperspectral Data Compression System; Iridium Interfacial Stack - IrIS; Downsampling Photodetector Array with Windowing; Optical Phase Recovery and Locking in a PPM Laser Communication Link; High-Speed Edge-Detecting Line Scan Smart Camera; Optical Communications Channel Combiner; Development of Thermal Infrared Sensor to Supplement Operational Land Imager; Amplitude-Stabilized Oscillator for a Capacitance-Probe Electrometer; Automated Performance Characterization of DSN System Frequency Stability Using Spacecraft Tracking Data; Histogrammatic Method for Determining Relative Abundance of Input Gas Pulse; Predictive Sea State Estimation for Automated Ride Control and Handling - PSSEARCH; LEGION: Lightweight Expandable Group of Independently Operating Nodes; Real-Time Projection to Verify Plan Success During Execution; Automated Performance Characterization of DSN System Frequency Stability Using Spacecraft Tracking Data; Web-Based Customizable Viewer for Mars Network Overflight Opportunities; Fabrication of a Cryogenic Terahertz Emitter for Bolometer Focal Plane Calibrations; Fabrication of an Absorber-Coupled MKID Detector; Graphene Transparent Conductive Electrodes for Next- Generation Microshutter Arrays; Method of Bonding Optical Elements with Near-Zero Displacement; Free-Mass and Interface Configurations of Hammering Mechanisms; Wavefront Compensation Segmented Mirror Sensing and Control; Long-Life, Lightweight, Multi-Roller Traction Drives for Planetary Vehicle Surface Exploration; Reliable Optical Pump Architecture for Highly Coherent Lasers Used in Space Metrology Applications; Electrochemical Ultracapacitors Using Graphitic Nanostacks; Improved Whole-Blood-Staining Device; Monitoring Location and Angular Orientation of a Pill; Molecular Technique to Reduce PCR Bias for Deeper Understanding of Microbial Diversity; Laser Ablation Electrodynamic Ion Funnel for In Situ Mass Spectrometry on Mars; High-Altitude MMIC Sounding Radiometer for the Global Hawk Unmanned Aerial Vehicle; PRTs and Their Bonding for Long-Duration, Extreme-Temperature Environments; Mid- and Long-IR Broadband Quantum Well Photodetector; 3D Display Using Conjugated Multiband Bandpass Filters; Real-Time, Non-Intrusive Detection of Liquid Nitrogen in Liquid Oxygen at High Pressure and High Flow; Method to Enhance the Operation of an Optical Inspection Instrument Using Spatial Light Modulators; Dual-Compartment Inflatable Suitlock; Large-Strain Transparent Magnetoactive Polymer Nanocomposites; Thermodynamic Vent System for an On-Orbit Cryogenic Reaction Control Engine; Time Distribution Using SpaceWire in the SCaN Testbed on ISS; and Techniques for Solution- Assisted Optical Contacting.

Source record↗
DOE OSTI2021

Autoignition study of iso -cetane/tetralin blends at low temperature

iso-Cetane and tetralin are the two fuel components commonly considered in literature diesel surrogates, and are hydrocarbon classes representative of iso-alkanes and naphthoaromatics, respectively. Since both surrogate components are involved in the key reactions controlling the autoignition reactivity of diesel surrogates, autoignition studies of iso-cetane, tetralin, and their blending behavior at low temperatures can be helpful in developing/refining chemical kinetic models of diesel surrogates, in order to better predict diesel ignition response under low temperature combustion conditions. In this investigation, autoignition experiments of iso-cetane, tetralin, and their binary mixtures at varying blending ratios have been conducted in a rapid compression machine (RCM) in the temperature/pressure range of 630–930 K and 10–20 bar. For the neat fuel components, the newly-acquired RCM data have been compared with the literature experimental results at some overlapping conditions. In addition, a chemical kinetic model describing the oxidation of iso-cetane and tetralin compiled/updated from the diesel surrogate model developed by Lawrence Livermore National Laboratory is used to simulate the experimental datasets. It is shown that this model exhibits good agreement with the experimental results of tetralin and also predicts the total ignition delay times of iso-cetane at lower temperatures reasonably well. However, the current model fails to fully capture the increase of total ignition delay time with increasing amount of tetralin in the binary blends observed in the present RCM experiments. Therefore, chemical kinetic analyses of the current model are conducted to help identify possible reasons leading to the discrepancies between simulations and experiments. Furthermore, the chemical kinetic interactions between iso-cetane and tetralin are explored by including additional cross-reactions among iso-cetane, tetralin, and their fuel fragments in the current model to assess their effects on model predictions. As a result, based on the chemical kinetic analysis results, future direction for model refinements is discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Divergent Responses of Carbon Nitride Dot‐Based Amorphous Species and Small Molecule Hybrids to Trace Level Analytes

Bottom-up synthesis of carbon nitride dots (CNDs) offers a versatile platform for the creation of diverse nanomaterials with tunable properties. Here, we report a facile hydrothermal approach using citric acid (CA) and urea (U) as precursors to synthesize CNDs with varying degrees of condensation and crystallinity. By carefully controlling reaction conditions and post-synthetic treatments, we obtained two distinct fractions: a polycrystalline fraction composed of small-molecule hybrids and an amorphous fraction containing CNDs. We then sought to understand how the dominant species in these fractions impact sensing abilities using trace-level explosive exemplars. In conclusion, the results have important implications for sensing and related applications where understanding the complex interplay between synthetic conditions and post-synthetic processing play vital roles in determining the final properties of CND materials.

carbon nitride dots↗
DOE OSTI2020

A comparative study of thermal- and electrocatalytic conversion of furfural: methylfuran as a primary and major product

Controlling reaction selectivity represents a fundamental challenge in heterogeneous catalysis. Here, we compare the selectivity in aqueous-phase thermal catalytic and electrocatalytic conversion of furfural and report the fundamental difference in elementary steps in the two reaction systems. Specifically, we observed that furfural alcohol and 2-methylfuran, which is the hydrogenation and hydrogenolysis product of furfural, respectively, are both primary products in electrocatalysis over a Cu electrode, with 2-methylfuran dominating the product distribution under electrode potentials between -0.55 and -0.75 V versus RHE. By contrast, in an aqueous-phase thermal reaction using a SiO 2 -supported Cu catalyst, furfural alcohol and its derivatives from the ring-rearrangement reaction are the major products, without production of 2-methylfuran, at the reaction temperature between 140 and 200 °C. Here, we propose that the distinct selectivity trends for oxygenate conversion via thermal and electrocatalytic reduction result from the distinct sequence of proton attack to the aldehyde group and may be generally true for reduction reactions of other biomass-derived oxygenates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Hydrometallurgical Recycling of Black Mass of Spent Lithium-Ion Batteries Using Methanesulfonic Acid: Leaching, Kinetic Studies, and Potential for Total Recovery of Valuable Components

Methanesulfonic acid (MSA) exhibits several advantageous properties rendering it a promising candidate for circular hydrometallurgical processes. These properties include a high acidity (pKa = - 1.9) comparable to that of classical mineral acids as well as biodegradability, high stability, and high solubility of metal-MSA complexes in aqueous solutions. In this study, MSA was employed as a lixiviant for the leaching of metals (lithium, nickel, cobalt, and manganese) from the black mass of spent lithium-ion batteries (LIBs). The effect of various parameters, including MSA concentration, H 2 O 2 concentration, temperature, and pulp density, was systematically investigated. Under the optimized conditions (1.5 M MSA, 0.2 M H 2 O 2 , 60 °C, and 50 g/L pulp density), quantitative leaching of lithium was achieved within 30 min, while for nickel and cobalt it was after 2 h, and 4 h for manganese leaching. The leaching kinetics of Li, Ni, Co, and Mn were studies using the shrinking particle models (SPM) and the Avrami model. The results indicated that the Avrami model provided the best fit to the kinetic data, with apparent activation energies of 46.81 kJ/mol for Li, 58.61 kJ/mol for Ni, 59.69 kJ/mol for Co, and 58.86 kJ/mol for Mn, within the temperature range of 25-70 °C (except for Li, which was analyzed in the range of 25-60 °C), consistent with chemical reaction control. Subsequently, residual contaminants in the leaching residue were eliminated through pyrolysis. The quantitative leaching of metals in MSA solution (a green lixiviant), combined with the pyrolytic treatment of leaching residues, represents a circular strategy for the total recovery of valuable components from the black mass of spent LIBs.

25 ENERGY STORAGE↗
DOE OSTI2021

Multiscale CFD simulation of biomass fast pyrolysis with a machine learning derived intra-particle model and detailed pyrolysis kinetics

Coupling particle and reactor scale models is as essential as reactor fluid dynamics and particle motion for accurate Computational Fluid Dynamic (CFD) simulations of biomass fast pyrolysis reactors due to intraparticle heat transfer and chemical reactions controlling conversion time and product distributions. Direct online coupling of a particle model with a reactor model is computationally expensive, while offline coupling is case-dependent. In this research, solutions from a series of particle pyrolysis simulations were regressed with Artificial Neural Network (ANN). Furthermoer, this machine learning-derived model predicted the same temperature and conversion profiles compared with particle resolved simulation while the isothermal approach overpredicted the temperature by 130 K and underpredicted the conversion time by 30 s. The ANN model was then integrated into CFD simulations of fluidized bed biomass fast pyrolysis with varied feedstocks via coupling PyTorch and MFiX. The averaged error of simulation predicted bio-oil yields with four feedstocks is 6.4%. This multi-scale approach provides an efficient tool for the coupled particle and reactor scale simulations of biomass pyrolysis.

09 BIOMASS FUELS↗
DOE OSTI2020

Autoignition of CRC diesel surrogates at low temperature combustion conditions: Rapid compression machine experiments and modeling

As federal programs require increasingly stringent engine emissions and fuel economy standards, these ambitions can only be met if next-generation combustion technology is developed focusing on high-efficiency and low-emissions engines. Recent research has indicated the need to operate engines at higher compression ratios and with low temperature combustion (LTC) to achieve the needed gains in engine efficiency and reductions in emissions. Because there is a lack of understanding of the chemistry of diesel fuel components and their mixtures at these LTC conditions, this limits the ability to develop predictive chemical kinetic models that can be used to optimize engine combustion. The current study aims to fill in gaps in fundamental combustion data on surrogate fuel mixtures relevant to diesel fuels. Specifically, four multicomponent diesel surrogates formulated by the Coordinating Research Council (CRC) to emulate an ultra-low-sulfur research-grade #2 certification diesel fuel (CFA), namely V0a (4 components), V0b (5 components), V1 (8 components), and V2 (9 components), have been investigated in a rapid compression machine (RCM) through determination of total and first-stage ignition delay times. Autoignition characteristics of lean to rich fuel/O 2 /N 2 mixtures, for the four CRC surrogates and CFA, have been measured using an RCM at LTC relevant pressures and temperatures, in the ranges of 10–20 bar and 650–1000 K, respectively. The equivalence ratios have been varied by independently changing the oxygen mole fraction and the fuel mole fraction in the test mixtures, thereby illustrating the individual effects of oxygen concentration and fuel loading on diesel autoignition. Autoignition results of these four CRC surrogates are compared among them and with those of CFA. Some degree of agreement in autoignition response between each CRC surrogate and CFA is observed, while discrepancies are also identified and discussed. In addition, a detailed chemical kinetic model for diesel surrogates has been developed and validated against these newly-acquired RCM data. We find that this model shows reasonable agreement with the overall ignition delay time results of the current RCM experiments. Chemical kinetic analyses of the developed model were further conducted to help identify the reactions controlling the autoignition processes and the consumption of fuel components in CRC surrogates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗