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Volcanological constraints of Archaean tectonics

Volcanological and trace element geochemical data can be integrated to place some constraints upon the size, character and evolutionary history of Archean volcanic plumbing, and hence indirectly, Archean tectonics. The earliest volcanism in any greenhouse belt is almost universally tholeitic basalt. Archean mafic magma chambers were usually the site of low pressure fractionation of olivine, plagioclase and later Cpx + or - an oxide phase during evolution of tholeitic liquids. Several models suggest basalt becoming more contaminated by sial with time. Data in the Uchi Subprovince shows early felsic volcanics to have fractionated REE patterns followed by flat REE pattern rhyolites. This is interpreted as initial felsic liquids produced by melting of a garnetiferous mafic source followed by large scale melting of LIL-rich sial. Rare andesites in the Uchi Subprovince are produced by basalt fractionation, direct mantle melts and mixing of basaltic and tonalitic liquids. Composite dikes in the Abitibi Subprovince have a basaltic edge with a chill margin, a rhyolitic interior with no basalt-rhyolite chill margin and partially melted sialic inclusions. Ignimbrites in the Uchi and Abitibi Subprovinces have mafic pumice toward the top. Integration of these data suggest initial mantle-derived basaltic liquids pond in a sialic crust, fractionate and melt sial. The inirial melts low in heavy REE are melts of mafic material, subsequently melting of adjacent sial produces a chamber with a felsic upper part underlain by mafic magma.

Thurston, P. C.↗

In-Situ Measurement of Hall Thruster Erosion Using a Fiber Optic Regression Probe

One potential life-limiting mechanism in a Hall thruster is the erosion of the ceramic material comprising the discharge channel. This is especially true for missions that require long thrusting periods and can be problematic for lifetime qualification, especially when attempting to qualify a thruster by analysis rather than a test lasting the full duration of the mission. In addition to lifetime, several analytical and numerical models include electrode erosion as a mechanism contributing to enhanced transport properties. However, there is still a great deal of dispute over the importance of erosion to transport in Hall thrusters. The capability to perform an in-situ measurement of discharge channel erosion is useful in addressing both the lifetime and transport concerns. An in-situ measurement would allow for real-time data regarding the erosion rates at different operating points, providing a quick method for empirically anchoring any analysis geared towards lifetime qualification. Erosion rate data over a thruster s operating envelope would also be useful in the modeling of the detailed physics inside the discharge chamber. There are many different sensors and techniques that have been employed to quantify discharge channel erosion in Hall thrusters. Snapshots of the wear pattern can be obtained at regular shutdown intervals using laser profilometry. Many non-intrusive techniques of varying complexity and sensitivity have been employed to detect the time-varying presence of erosion products in the thruster plume. These include the use quartz crystal microbalances, emission spectroscopy, laser induced flourescence, and cavity ring-down spectroscopy. While these techniques can provide a very accurate picture of the level of eroded material in the thruster plume, it is more difficult to use them to determine the location from which the material was eroded. Furthermore, none of the methods cited provide a true in-situ measure of erosion at the channel surface while the thruster is in operation (i.e. none yield a continuous channel erosion measurement). A recent fundamental sensor development effort has led to a novel regression, erosion, and ablation sensor technology (REAST). The REAST sensor allows for measurement of real-time surface erosion rates at a discrete surface location. The sensor was tested using a linear Hall thruster geometry (see Fig. 1), which served as a means of producing plasma erosion of a ceramic discharge chamber. The mass flow rate, discharge voltage, and applied magnetic field strength could be varied, allowing for erosion measurements over a broad thruster operating envelope. Results are presented demonstrating the ability of the REAST sensor to capture not only the insulator erosion rates but also changes in these rates as a function of the discharge parameters.

Polzin, Kurt↗

Heterodyne frequency-domain multispectral diffuse optical tomography of breast cancer in the parallel-plane transmission geometry

Purpose: The authors introduce a state-of-the-art all-optical clinical diffuse optical tomography (DOT) imaging instrument which collects spatially dense, multispectral, frequency-domain breast data in the parallel-plate geometry. Methods: The instrument utilizes a CCD-based heterodyne detection scheme that permits massively parallel detection of diffuse photon density wave amplitude and phase for a large number of source–detector pairs (10{sup 6}). The stand-alone clinical DOT instrument thus offers high spatial resolution with reduced crosstalk between absorption and scattering. Other novel features include a fringe profilometry system for breast boundary segmentation, real-time data normalization, and a patient bed design which permits both axial and sagittal breast measurements. Results: The authors validated the instrument using tissue simulating phantoms with two different chromophore-containing targets and one scattering target. The authors also demonstrated the instrument in a case study breast cancer patient; the reconstructed 3D image of endogenous chromophores and scattering gave tumor localization in agreement with MRI. Conclusions: Imaging with a novel parallel-plate DOT breast imager that employs highly parallel, high-resolution CCD detection in the frequency-domain was demonstrated.

60 APPLIED LIFE SCIENCES↗

Preliminary Studies Leading Toward the Development of a LIDAR Bathymetry Mapping Instrument

The National Aeronautics and Space Administration (NASA) at Goddard Space Flight Center (GSFC) has developed a laser ranging device (LIDAR) which provides accurate and timely data of earth features. NASA/GSFC recently modified the sensor to include a scanning capability to produce LIDAR swaths. They have also integrated a Global Positioning System (GPS) and an Inertial Navigation System (INS) to accurately determine the absolute aircraft location and aircraft attitude (pitch, yaw, and roll), respectively. The sensor has been flown in research mode by NASA for many years. The LIDAR has been used in different configurations or modes to acquire such data as altimetry (topography), bathymetry (water depth), laser-induced fluorosensing (tracer dye movements, oil spills and oil thickness, chlorophyll and plant stress identification), forestry, and wetland discrimination studies. NASA and HARC are developing a commercial version of the instrument for topographic mapping applications. The next phase of the commercialization project will be to investigate other applications such as wetlands mapping and coastal bathymetry. In this paper we report on preliminary laboratory measurements to determine the feasibility of making accurate depth measurements in relatively shallow water (approximately 2 to 6 feet deep) using a LIDAR system. The LIDAR bathymetry measurements are relatively simple in theory. The water depth is determined by measuring the time interval between the water surface reflection and the bottom surface reflection signals. Depth is then calculated by dividing by the index of refraction of water. However, the measurements are somewhat complicated due to the convolution of the water surface return signal with the bottom surface return signal. Therefore in addition to the laboratory experiments, computer simulations of the data were made to show these convolution effects in the return pulse waveform due to: (1) water depth, and (2) changes in bottom surface reflectivity.

Hill, John M.↗

High-performance mass storage system for workstations

Reduced Instruction Set Computer (RISC) workstations and Personnel Computers (PC) are very popular tools for office automation, command and control, scientific analysis, database management, and many other applications. However, when using Input/Output (I/O) intensive applications, the RISC workstations and PC's are often overburdened with the tasks of collecting, staging, storing, and distributing data. Also, by using standard high-performance peripherals and storage devices, the I/O function can still be a common bottleneck process. Therefore, the high-performance mass storage system, developed by Loral AeroSys' Independent Research and Development (IR&D) engineers, can offload a RISC workstation of I/O related functions and provide high-performance I/O functions and external interfaces. The high-performance mass storage system has the capabilities to ingest high-speed real-time data, perform signal or image processing, and stage, archive, and distribute the data. This mass storage system uses a hierarchical storage structure, thus reducing the total data storage cost, while maintaining high-I/O performance. The high-performance mass storage system is a network of low-cost parallel processors and storage devices. The nodes in the network have special I/O functions such as: SCSI controller, Ethernet controller, gateway controller, RS232 controller, IEEE488 controller, and digital/analog converter. The nodes are interconnected through high-speed direct memory access links to form a network. The topology of the network is easily reconfigurable to maximize system throughput for various applications. This high-performance mass storage system takes advantage of a 'busless' architecture for maximum expandability. The mass storage system consists of magnetic disks, a WORM optical disk jukebox, and an 8mm helical scan tape to form a hierarchical storage structure. Commonly used files are kept in the magnetic disk for fast retrieval. The optical disks are used as archive media, and the tapes are used as backup media. The storage system is managed by the IEEE mass storage reference model-based UniTree software package. UniTree software will keep track of all files in the system, will automatically migrate the lesser used files to archive media, and will stage the files when needed by the system. The user can access the files without knowledge of their physical location. The high-performance mass storage system developed by Loral AeroSys will significantly boost the system I/O performance and reduce the overall data storage cost. This storage system provides a highly flexible and cost-effective architecture for a variety of applications (e.g., realtime data acquisition with a signal and image processing requirement, long-term data archiving and distribution, and image analysis and enhancement).

Chiang, T.↗

Modeling Atmospheric CO2 Processes to Constrain the Missing Sink

We report on a NASA supported modeling effort to reduce uncertainty in carbon cycle processes that create the so-called missing sink of atmospheric CO2. Our overall objective is to improve characterization of CO2 source/sink processes globally with improved formulations for atmospheric transport, terrestrial uptake and release, biomass and fossil fuel burning, and observational data analysis. The motivation for this study follows from the perspective that progress in determining CO2 sources and sinks beyond the current state of the art will rely on utilization of more extensive and intensive CO2 and related observations including those from satellite remote sensing. The major components of this effort are: 1) Continued development of the chemistry and transport model using analyzed meteorological fields from the Goddard Global Modeling and Assimilation Office, with comparison to real time data in both forward and inverse modes; 2) An advanced biosphere model, constrained by remote sensing data, coupled to the global transport model to produce distributions of CO2 fluxes and concentrations that are consistent with actual meteorological variability; 3) Improved remote sensing estimates for biomass burning emission fluxes to better characterize interannual variability in the atmospheric CO2 budget and to better constrain the land use change source; 4) Evaluating the impact of temporally resolved fossil fuel emission distributions on atmospheric CO2 gradients and variability. 5) Testing the impact of existing and planned remote sensing data sources (e.g., AIRS, MODIS, OCO) on inference of CO2 sources and sinks, and use the model to help establish measurement requirements for future remote sensing instruments. The results will help to prepare for the use of OCO and other satellite data in a multi-disciplinary carbon data assimilation system for analysis and prediction of carbon cycle changes and carbodclimate interactions.

Kawa, S. R.↗

Thermal Properties of Unusual Local-Scale Features on Vesta

On Vesta, the thermal behavior of areas of unusual albedo seen at the local scale can be related to physical properties that can provide information about the origin of those materials. We used Dawn s Visible and Infrared Mapping Spectrometer (VIR) hyperspectral cubes to retrieve surface temperatures and emissivities, with high accuracy as long as temperatures are greater than ~180 K. Data acquired in the Survey phase (23 July through 29 August 2011) show several unusual surface features: 1) high-albedo (bright) and low-albedo (dark) material deposits, 2) spectrally distinct ejecta and pitted materials, 3) regions suggesting finer-grained materials. Some of the unusual dark and bright features were reobserved by VIR in the subsequent High-Altitude Mapping Orbit (HAMO) and Low- Altitude Mapping Orbit (LAMO) phases at increased pixel resolution. In this work we present temperature maps and emissivities of several local-scale features that were observed by Dawn under different illumination conditions and different local solar times. Data from VIR's IR channel show that bright regions generally correspond to regions with lower thermal emission, i.e. lower temperature, while dark regions correspond to areas with higher thermal emission, i.e. higher temperature. This behavior confirms that many of the dark appearances in the VIS mainly reflect albedo variations, and not, for example, shadowing. During maximum daily insolation, dark features in the equatorial region may rise to temperatures greater than 270 K, while brightest features stop at roughly 258 K, local solar time being similar. However, pitted materials, showing relatively low reflectance, have significantly lower temperatures, as a result of differences in composition and/or structure (e.g, average grain size of the surface regolith, porosity, etc.). To complement this work, we provide preliminary values of thermal inertia for some bright and dark features.

Capria, M.↗

Energy Efficient Material Processing through Automated Process Monitoring and Controls

Smart manufacturing is bound to play a crucial role in reducing global energy consumption while accelerating economic development. This phenomenon is evident in advanced sensing technology developments, data analytics and machine learning/AI, automated controls, cloud computing, etc. The immediate opportunity for smart manufacturing is to improve the energy efficiency of manufacturing operations through innovations in processes and controls. The manufacturing industry still consumes about 30% of total global energy production, which is significant. This program focused on the recommendation of heterogeneous sensors to monitor the Chemical Vapor Infiltration (CVI) process parameters, states, and key performance indices and utilize cloud computing to sort and analyze the real-time data. Learning through data analytics helps guide the control parameters affecting energy usage. The target process in the program is the CVI process at the Honeywell South Bend facility, which is one of the most energy-intensive manufacturing industries.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Double-Difference Tomography for Sequestration MVA (Final Technical Report)

Analysis of synthetic data was performed to determine the most cost-effective tomographic monitoring system for a geologic carbon sequestration injection site. Double-difference tomographic inversion was performed on 125 synthetic data sets: five stages of CO2 plume growth, five seismic event regions, and five geophone arrays. Each resulting velocity model was compared quantitatively to its respective synthetic velocity model to determine an accuracy value. The results were examined to determine a relationship between cost and accuracy in monitoring, verification, and accounting applications using double-difference tomography. The geophone arrays with widely-varying geophone locations, both laterally and vertically, performed best. Additionally, double difference seismic tomography was performed using travel time data from a carbon sequestration site at the Aneth oil field in southeast Utah as part of a Department of Energy initiative on monitoring, verification, and accounting (MVA) of sequestered CO2. A total of 1,211 seismic events were recorded from a borehole array consisting of 22 geophones. Artificial velocity models were created to determine the ease with which different CO2 plume locations and sizes can be detected. Most likely because of the poor geophone arrangement, a low velocity zone in the Desert Creek reservoir can only be detected when regions of test site containing the highest ray path coverage are considered. MVA accuracy and precision may be improved through the use of a receiver array that provides more comprehensive ray path coverage.

54 ENVIRONMENTAL SCIENCES↗

NASA's Advanced Tracking and Data Relay Satellite System for the years 2000 and beyond

An Advanced Tracking and Data Relay Satellite System (ATDRSS) reference architecture that embodies many of the system features and technological enhancements considered essential is presented and described. The architectural and user service features of the existing TDRSS are reviewed, and certain evolutionary features that will take place by the mid-1990s are discussed. NASAs projected user service requirements for the first decade at the next century, which are the principal drivers for the ATDRSS architecture, are described, including such aspects as the real-time data rates and the quantity of simultaneous services that must be supported. The discussion of the ATDRSS reference architecture covers rationale, technology considerations, and key features of the future ATDRSS user service. A status summary of the ATDRSS program is given.

Brandel, Daniel L.↗

Strategy and gaps for modeling, simulation, and control of hybrid systems

The purpose of this report is to establish a strategy for modeling and simulation of candidate hybrid energy systems. Modeling and simulation is necessary to design, evaluate, and optimize the system technical and economic performance. Accordingly, this report first establishes the simulation requirements to analysis candidate hybrid systems. Simulation fidelity levels are established based on the temporal scale, real and synthetic data availability or needs, solution accuracy, and output parameters needed to evaluate case-specific figures of merit. Accordingly, the associated computational and co-simulation resources needed are established; including physical models when needed, code assembly and integrated solutions platforms, mathematical solvers, and data processing. This report first attempts to describe the figures of merit, systems requirements, and constraints that are necessary and sufficient to characterize the grid and hybrid systems behavior and market interactions. Loss of Load Probability (LOLP) and effective cost of Effective Cost of Energy (ECE), as opposed to the standard Levelized Cost of Electricty (LCOE), are introduced as technical and economical indices for integrated energy system evaluations. Financial assessment methods are subsequently introduced for evaluation of non-traditional, hybrid energy systems. Algorithms for coupled and iterative evaluation of the technical and economic performance are subsequently discussed. This report further defines modeling objectives, computational tools, solution approaches, and real-time data collection and processing (in some cases using real test units) that will be required to model, co-simulate, and optimize; (a) an energy system components (e.g., power generation unit, chemical process, electricity management unit), (b) system domains (e.g., thermal, electrical or chemical energy generation, conversion, and transport), and (c) systems control modules. Co-simulation of complex, tightly coupled, dynamic energy systems requires multiple simulation tools, potentially developed in several programming languages and resolved on separate time scales. Whereas further investigation and development of hybrid concepts will provide a more complete understanding of the joint computational and physical modeling needs, this report highlights areas in which co-simulation capabilities are warranted. The current development status, quality assurance, availability and maintainability of simulation tools that are currently available for hybrid systems modeling is presented. Existing gaps in the modeling and simulation toolsets and development needs are subsequently discussed. This effort will feed into a broader Roadmap activity for designing, developing, and demonstrating hybrid energy systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Temperature Field Reconstruction of Surfaces Heated Through Radiative Heat Transfer Using Convolutional Neural Networks

Microreactors could play a crucial role in decarbonizing our energy portfolio. However, their development and implementation come with specific challenges, particularly regarding cost. Due to their compact size and the harsh operational environment, collecting real-time data on reactor operation can be challenging. Many probe designs are unable to withstand extreme conditions (e.g., temperature, radiation) in the reactor. In this context, using convolutional neural networks (CNNs) can pave the way for developing a nonintrusive approach that relies solely on ex-core sensors. A well-trained physics-informed CNN can reconstruct the distribution of a given physical quantity over a domain using only a few sensors, allowing us to reconstruct the desired field distribution even in a limited space or complex geometries where a large array of sensors is impractical. In this work, we present the initial steps toward developing a real-time tool for monitoring the thermal behavior of nuclear reactor pressure vessels. Based on an experimental setup, a computational model using the Multiphysics Object-Oriented Simulation Environment (moose) framework was built, where the Ray Tracing and Heat Conduction modules were used to evaluate the temperature distribution over a convex metal surface heated through radiative heat transfer. This metal surface represents a section of a heated nuclear reactor vessel wall. The model also accounts for solid mechanics physics through the moose Solid Mechanics module. In situ experimental data, acquired from a Texas A&M facility, were used to validate the computational model. Part of the data generated by the moose model was used to train the convolutional neural network to reconstruct the vessel wall's outer surface temperature. The CNN generalization was then compared against the experimental and computational data.

Aldeia Machado, Luiz Carlos↗

The RELAMPAGO Lightning Mapping Array: Preliminary Scientific Results and Application to GLM Calibration and Validation

During November 2018 through April 2019, an 11-station NASA lightning mapping array (LMA) was installed in the Cordoba region of Argentina, in support of GOES-16 Geostationary Lightning Mapper (GLM) calibration and validation, as well as the Remote sensing of Electrification, Lightning, And Mesoscale/microscale Processes with Adaptive Ground Observations (RELAMPAGO) field campaign. This region of Argentina is well known for frequent, intense thunderstorms and severe weather. The LMA was monitored remotely via the Internet throughout its deployment, but due to bandwidth limitations no real-time data were available. Custom GOES-16 imagery provided by NASA SPoRT assisted with monitoring of thunderstorm cases. Occasional site visits were done to obtain data disks, perform routine maintenance, and troubleshoot problems. During the deployment the network captured lightning in a variety of storm modes, including ordinary and severe multicells, supercells, and mesoscale convective systems. Many examples of normal-polarity thunderstorms, as well as a few examples of anomalously charged thunderstorms, were observed. Long (100+ km) horizontally stratified lightning flashes, as well as lightning in overshooting tops, also were frequently observed. Supporting research radar observations were available through January 2019, with operational radar coverage available after that time. Some cases featured supporting ABI meso scanning. This presentation will report on the LMA deployment in context with the RELAMPAGO field campaign, show results from some representative case studies, and will provide initial comparisons to GLM observations.

Lang, Timothy J.↗

The FRB-searching Pipeline of the Tianlai Cylinder Pathfinder Array

This paper presents the design, calibration, and survey strategy of the Fast Radio Burst (FRB) digital backend and its real-time data processing pipeline employed in the Tianlai Cylinder Pathfinder Array. The array, consisting of three parallel cylindrical reflectors and equipped with 96 dual-polarization feeds, is a radio interferometer array designed for conducting drift scans of the northern celestial semi-sphere. The FRB digital backend enables the formation of 96 digital beams, effectively covering an area of approximately 40 square degrees with the 3 dB beam. Our pipeline demonstrates the capability to conduct an automatic search of FRBs, detecting at quasi-real-time and classifying FRB candidates automatically. The current FRB searching pipeline has an overall recall rate of 88%. During the commissioning phase, we successfully detected signals emitted by four well-known pulsars: PSR B0329+54, B2021+51, B0823+26, and B2020+28. We report the first discovery of an FRB by our array, designated as FRB 20220414A. We also investigate the optimal arrangement for the digitally formed beams to achieve maximum detection rate by numerical simulation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Soft X-ray emission from the radio pulsar PSR 0656 + 14

A radio source with a flux density of a few mJy was found in the error region of the soft X-ray source E0656 + 14, and identified as the radio pulsar PSR 0656 + 14. The radio source has a steep, nonthermal spectrum and a high degree of linear (62 percent) and circular (19 percent) polarization. The X-ray spectrum of the pulsar is among the softest sources observed with the Einstein Observatory. The X-ray data taken with the Einstein imaging proportional counter (IPC) permit a range of blackbody temperatures of 3-6 x 10 to the 5th K, and an equivalent column density of hydrogen smaller than 4 x 10 to the 20th/sq cm. If the assumption is made that the X-ray flux is thermal radiation from surface of the neutron star, then the pulsar must be at a distance smaller than 550 pc, consistent with the low dispersion measure of PSR 0656 + 14. The X-ray timing data suggest that the X-ray emission is modulated at the pulsar's 0.385-s spin period with an amplitude of 18 percent + or - 6 percent, and that there is a 0.0002 probability that this is spurious. It was noted that PSR 0656 + 14 is close to the geometric center of a 20-deg diameter soft X-ray emitting ring called the Gemini-Monoceros enhancement. The close distance of the pulsar, together with its relatively young age of 1.1 x 10 to the 5th yr, makes it possible that the ring is a supernova remnant from the explosion of the pulsar's progenitor. A radio source extending over a region 1.2 to 3.3 arcmin south of the pulsar is a candidate for association with the pulsar.

Cordova, F. A.↗

Three-Dimensional Tracking of High-Speed Tumbling Projectiles Using Stroboscopic Imaging

Creating images of high-speed projectiles has been a topic of interest for almost a century. Historically, ballistics ranges have used air-gap flash photography or high-speed video cameras to capture this type of data. Air-gap flash photography provides a single image at each camera station. Using modern high-speed imagers provides accurate data but is cost prohibitive for a long-distance range. This paper presents a camera system capable of capturing the three-dimensional data of high speed projectiles over a long distance. The system uses relatively low-cost cameras which are set up in a stereo vision configuration and uses high-speed strobe lights to create multi exposure images. Each pulse of light captures the position of the projectile as it passes the camera. For each position captured in the image, the three-dimensional position of the projectile is found using triangulation geometry. The linear velocity of the projectile is calculated by combining the position of the projectile with timing data. Two test series were conducted. The first test series compares different cameras and backdrops for the camera system. The second test series captured position data for two different shapes of high-speed tumbling projectiles.

42 ENGINEERING↗

An experimental and kinetic modeling study of NO x sensitization on methane autoignition and oxidation

An experimental and kinetic modeling study of the influence of NO x (i.e. NO 2 , NO and N 2 O) addition on the ignition behavior of methane/‘air’ mixtures is performed. Ignition delay time measurements are taken in a rapid compression machine (RCM) and in a shock tube (ST) at temperatures and pressures ranging from 900–1500 K and 1.5–3.0 MPa, respectively for equivalence ratios of 0.5–2.0 in ‘air’. The conditions chosen are relevant to spark ignition and homogeneous charge compression ignition engine operating conditions where exhaust gas recirculation can potentially add NO x to the premixed charge. The RCM measurements show that the addition of 200 ppm NO 2 to the stoichiometric CH 4 /oxidizer mixture results in a factor of three increase in reactivity compared to the baseline case without NOx for temperatures in the range 600–1000 K. However, adding up to 1000 ppm N 2 O does not show any appreciable effect on the measurements. The promoting effect of NO 2 was found to increase with temperature in the range 950–1150 K, while the sensitization effect decreases at higher pressures. The experimental results measured are simulated using NUIGMech1.2 comprising an updated NO x sub-chemistry in this work. A kinetic analysis indicates that the competition between the reactions ĊH 3 + NO 2 ↔ CH 3 Ȯ + NO and ĊH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M), the former being a propagation reaction and the latter being a termination reaction governs NO x sensitization on CH 4 ignition. Recent calculations by Matsugi and Shiina (A. Matsugi, H. Shiina, J. Phys. Chem. A. 121 (2017) 4218–4224) for the nitromethane formation reaction CH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M), together with the recently calculated rate constants for HONO/HNO 2 reactions significantly improve ignition delay time predictions in the temperature range 600–1000 K. Furthermore, the experiments with NO addition reveal a non-monotonous sensitization impact on CH 4 ignition at lower temperatures with NO initially acting as an inhibitor at low NO concentrations and then as a promoter as NO concentrations increase in the mixture. This non-monotonous trend is attributed to the role of the chain-termination reaction ĊH 3 + NO 2 (+M) ↔ CH 3 NO 2 (+M) and the impact of NO on the transition to the chain-branching steps CH 2 O + HȮ 2 ↔ HĊO + H 2 O 2 , H 2 O 2 (+M) ↔ ȮH + ȮH (+M), HĊO ↔ CO + Ḣ followed by CO + O 2 ↔ CO 2 + Ö and Ḣ + O 2 ↔ Ö + ȮH. NUIGMech1.2 is systematically validated against the new ignition delay measurements taken here together with species measurements and high temperature ignition delay time data available in the literature for CH 4 /oxidizer mixtures diluted with NO 2 /N 2 O/NO and is observed to accurately capture the sensitization trends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗