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Chemical Engineering in Space

The aerospace industry has long been perceived as the domain of both physicists and mechanical engineers. This perception has endured even though the primary method of providing the thrust necessary to launch a rocket into space is chemical in nature. The chemical engineering and chemistry personnel behind the systems that provide access to space have labored in the shadows of the physicists and mechanical engineers. As exploration into the cosmos moves farther away from Earth, there is a very distinct need for new chemical processes to help provide the means for advanced space exploration. The state of the art in launch systems uses chemical propulsion systems, primarily liquid hydrogen and liquid oxygen, to provide the energy necessary to achieve orbit. As we move away from Earth, there are additional options for propulsion. Unfortunately, few of these options can compare to the speed or ease of use provided by the chemical propulsion agents. It is with great care and significant cost that gaseous compounds such as hydrogen and oxygen are liquefied and become dense enough to use for rocket fuel. These low-temperature liquids fall within a specialty area known as cryogenics. Cryogenics, the science and art of producing cold operating conditions for use on Earth, in orbit, or on some other nonterrestrial body, has become increasingly important to our ability to travel within our solar system. The production of cryogenic fuels and the long-term storage of these fluids are necessary for travel. As our explorations move farther away from Earth, we need to address how to produce the necessary fuels to make a round-trip. The cost and the size of these expeditions are extreme at best. If we take everything necessary for our survival for the round-trip, we invalidate any chance of travel in the near future. As with the early explorers on Earth, we need to harvest much of our energy and our life support from the celestial bodies. The in situ production of these energy sources is paramount to success. We are currently working on several processes to produce the propellants that would allow us to visit and explore the surface of Mars. The capabilities currently at our disposal for launching and delivering equipment to another planet or satellite dictate that the size and scale of any hardware must be extremely small. The miniaturization of the processes needed to prepare the in situ propellants and life support commodities is a real challenge. Chemical engineers are faced with the prospect of reproducing an entire production facility in miniature so the complex can be lifted into space and delivered to our destination. Another area that does not normally concern chemical engineers is the extreme physical aspects payloads are subjected to with the launch of a spacecraft. Extreme accelerations followed by the sudden loss of nearly all gravitational forces are well outside normal equipment design conditions. If the equipment cannot survive the overall trip, then it obviously will not be able to yield the needed products upon arrival. These launch constraints must be taken into account. Finally, we must consider both the effectiveness and efficiencies of the processes. A facility located on the Moon or Mars will not have an unlimited supply of power or other ancillary utilities. For a Mars expedition, the available electric power is severely limited. The design of both the processes and the equipment must be considered. With these constraints in mind, only the most efficient designs will be viable. Cryogenics, in situ resource utilization, miniaturization, launchability, and power/process efficiencies are only a few of the areas that chemical engineers provide support and expertise for the exploration of space.

Lobmeyer, Dennis A.↗

SAFER Inspection of Space Shuttle Thermal Protection System

In the aftermath of the space shuttle Columbia accident, it quickly became clear that new methods would need to be developed that would provide the capability to inspect and repair the shuttle's thermal protection system (TPS). A boom extension to the Remote Manipulator System (RMS) with a laser topography sensor package was identified as the primary means for measuring the damage depth in acreage tile as well as scanning Reinforced Carbon- Carbon (RCC) surfaces. However, concern over the system's fault tolerance made it prudent to investigate alternate means of acquiring close range photographs and contour depth measurements in the event of a failure. One method that was identified early was to use the Simplified Aid For EVA Rescue (SAFER) propulsion system to allow EVA access to damaged areas of concern. Several issues were identified as potential hazards to SAFER use for this operation. First, the ability of an astronaut to maintain controlled flight depends upon efficient technique and hardware reliability. If either of these is insufficient during flight operations, a safety tether must be used to rescue the crewmember. This operation can jeopardize the integrity of the Extra-vehicular Mobility Unit (EMU) or delicate TPS materials. Controls were developed to prevent the likelihood of requiring a tether rescue, and procedures were written to maximize the chances for success if it cannot be avoided. Crewmember ability to manage tether cable tension during nominal flight also had to be evaluated to ensure it would not negatively affect propellant consumption. Second, although propellant consumption, flight control, orbital dynamics, and flight complexity can all be accurately evaluated in Virtual Reality (VR) Laboratory at Johnson Space Center, there are some shortcomings. As a crewmember's hand is extended to simulate measurement of tile damage, it will pass through the vehicle without resistance. In reality, this force will push the crewmember away from the vehicle, and could induce a moment which, if strong enough, could saturate the attitude control system in SAFER. This raises the concern that additional propellant will be consumed to maintain controlled flight. To account for this, the fidelity of the Virtual Reality simulation was improved to include the effect of crewmember contact with the vehicle during SAFER flight. In addition, while participating in VR simulations, the subject is in shirt sleeves and sits in a chair. This does not provide a flight-like representation of body position awareness. To prevent inadvertent contact with tile or RCC, other facilities were utilized to establish crew preferences for body attitude and tool configuration. Finally, a study was performed to determine if attitude constraints are needed for the Space shuttle and International Space Station to reduce SAFER flight difficulty.

Scoville, Zebulon C.↗

Irregular Satellites of the Planets

This proposal is directed towards the observational exploration of the irregular satellite systems of the planets. Primarily we use large-format CCD cameras on the world's largest telescopes, on Mauna Kea, to discover new irregular satellites and then to monitor their positions in order to ascertain their orbital characteristics. Separate observations are taken to determine the physical properties of the irregular satellites. The big picture science objective is to determine how these satellites were captures, and to use the properties of the satellites and their orbits to place constraints on early solar system (including formation) processes. Work in the first year has focussed on a major investigation of the Saturn irregular satellite system. We secured observing time on the Subaru and Gemini 8-m diameter telescopes in December 2004, January, February and March 2005 for the conduct of a deep, wide-area survey. This has resulted in the detection and orbit determination for 12 new satellites to be announced in the next week or two. Additional satellites were lost, temporarily, due to unusually poor weather conditions on Mauna Kea. These objects will be recovered and their orbits published next year. A separate survey of the Uranus irregular satellites was published (Sheppard, Jewitt and Kleyna 2005). Away from the telescope, we have discovered the amazing result that the four giant planets possess similar numbers of irregular satellites. This flies in the face of the standard gas-drag model for satellite capture, since only two of the giant planets are gas giants and the others (Uranus and Neptune) formed by a different process and in the absence of much gas. The constancy of the satellite number (each giant holds approximately 100 irregular satellites measured down to the kilometer scale) is either a coincidence, with different capture mechanisms at different planets giving by chance the same total numbers of irregular satellites, or indicates that the satellites were captured by a completely different process. We favor the latter (Jewitt and Sheppard 2005).

Jewitt, David↗

EDL Simulation Results for the Mars 2020 Landing Site Safety Assessment

The Mars 2020 rover is NASA’s next flagship mission, set to explore Mars in search of scientific evidence of past microbial life. Importantly, the rover will also, for the first time, have the ability to collect and cache rock and soil samples for retrieval and return to laboratories here on Earth. A key step in the development of the Mars 2020 mission is the selection of a suitable landing site with the largest likelihood of meeting scientific goals. This decision is a complex and critical one that requires close interaction between the scientific and engineering communities. The chosen landing site must be both scientifically interesting — providing the project with the greatest possible chance of gathering credible and defendable scientific evidence — and also safe enough to attempt a landing in the first place. Thus, arguably one of the most important undertakings of the Entry, Descent, and Landing (EDL) team, is to effectively enumerate, quantify, and communicate the landing risks to all of the stakeholders. The culmination of this effort is the Landing Site Safety Assessment, which is a review commissioned by the project, presided over by the EDL Standing Review Board, and attended by management and science stakeholders, in which the EDL team communicates their assessment of the associated landing risks and the statistical probability of a successful landing at each of the final candidate landing sites. This paper summarizes the results of high-fidelity computer simulations of the Mars 2020 EDL sequence used in this assessment. From an EDL performance perspective, all four candidates offer similar level of robustness, which is in-family with Mars Science Laboratory (MSL). However, two new features of the Mars 2020 EDL sequence – range trigger and Terrain-Relative Navigation (TRN) – dramatically enhance the capability of the EDL system to safely land at landing sites with much more rugged terrain than ever before considered. This has allowed the landing site selection for Mars 2020 to proceed in a manner that has been unprecedentedly weighted more heavily toward scientific interest and less heavily on engineering constraints. With TRN, the overall probability of success is predicted to be approximately 99% for all of the candidates.

David Way↗

Identifying Molecules as Biosignatures with Assembly Theory and Mass Spectrometry

The search for evidence of life elsewhere in the universe is hard because it is not obvious what signatures are unique to life. Here we postulate that complex molecules found in high abundance are universal biosignatures as they cannot form by chance. To explore this, we developed the first intrinsic measure of molecular complexity that can be experimentally determined, and this is based upon a new approach called assembly theory which gives the molecular assembly number (MA) of a given molecule. MA allows us to compare the intrinsic complexity of molecules using the minimum number of steps required to construct the molecular graph starting from basic objects, and a probabilistic model shows how the probability of any given molecule forming randomly drops dramatically as its MA increases. To map chemical space, we calculated the MA of ca. 2.5 million compounds, and collected data which showed the complexity of a molecule can be experimentally determined by using three independent techniques including infra-red spectroscopy, nuclear magnetic resonance, and by fragmentation in a mass spectrometer, and this data has an excellent corelation with the values predicted from our assembly theory. We then set out to see if this approach could allow us to identify molecular biosignatures with a set of diverse samples from around the world, outer space, and the laboratory including prebiotic soups. The results show that there is a non-living to living threshold in MA complexity and the higher the MA for a given molecule, the more likely that it had to be produced by a biological process. This work demonstrates it is possible to use this approach to build a life detection instrument that could be deployed on missions to extra-terrestrial locations to detect biosignatures, map the extent of life on Earth, and be used as a molecular complexity scale to quantify the constraints needed to direct prebiotically plausible processes in the laboratory. Such an approach is vital if we are going to find new life elsewhere in the universe or create de-novo life in the lab.

Stuart M Marshall↗

Anthropogenic Emissions of Highly Reactive Volatile Organic Compounds (HRVOCs) Inferred from Oversampling of OMI HCHO Columns

Satellite observations of formaldehyde (HCHO) columns provide top-down constraints on emissions of highly reactive volatile organic compounds (HRVOCs). This approach has been used previously to constrain emissions of isoprene from vegetation, but application to US anthropogenic emissions has been stymied by lack of a discernable HCHO signal. Here we show that oversampling of HCHO data from the Ozone Monitoring Instrument (OMI) for 2005 - 2008 enables quantitative detection of urban and industrial plumes in eastern Texas including Houston, Port Arthur, and Dallas-Fort Worth. By spatially integrating the individual urban-industrial HCHO plumes observed by OMI we can constrain the corresponding HCHO-weighted HRVOC emissions. Application to the Houston plume indicates a HCHO source of 260 plus or minus 110 kmol h-1 and implies a factor of 5.5 plus or minus 2.4 underestimate of anthropogenic HRVOC emissions in the US Environmental Protection Agency inventory. With this approach we are able to monitor the trend in HRVOC emissions over the US, in particular from the oil-gas industry, over the past decade.

AURA↗

Evaluation of Space-Based Constraints on Global Nitrogen Oxide Emissions with Regional Aircraft Measurements over and Downwind of Eastern North America

We retrieve tropospheric nitrogen dioxide (NO 2) columns for May 2004 to April 2005 from the SCIAMACHY satellite instrument to derive top-down emissions of nitrogen oxides (NO(x) = NO + NO2) via inverse modeling with a global chemical transport model (GEOS-Chem). Simulated NO 2 vertical profiles used in the retrieval are evaluated with airborne measurements over and downwind of North America (ICARTT); a northern midlatitude lightning source of 1.6 Tg N/yr minimizes bias in the retrieval. Retrieved NO2 columns are validated (r2 = 0.60, slope = 0.82) with coincident airborne in situ measurements. The top-down emissions are combined with a priori information from a bottom-up emission inventory with error weighting to achieve an improved a posteriori estimate of the global distribution of surface NOx emissions. Our a posteriori NOx emission inventory for land surface NOx emissions (46.1 Tg N/yr) is 22% larger than the GEIA-based a priori bottom-up inventory for 1998, a difference that reflects rising anthropogenic emissions, especially from East Asia A posteriori NOx emissions for East Asia (9.8 Tg N/yr) exceed those from other continents. The a posteriori inventory improves the GEOS-Chem simulation of NOx, peroxyacetylnitrate, and nitric acid with respect to airborne in situ measurements over and downwind of New York City. The a posteriori is 7% larger than the EDGAR 3.2FT2000 global inventory, 3% larger than the NEI99 inventory for the United States, and 68% larger than a regional inventory for 2000 for eastern Asia. SCIAMACHY NO2 columns over the North Atlantic show a weak plume from lightning NO(x).

Martin, Randall V.↗

Learned adaptive properties for mitigation of weight perturbations in embedded spiking networks

Recent years have seen an increased importance of neural network inference in edge-based scenarios, which impose size and power constraints requiring novel computing devices. These same edge scenarios may require operating over long periods of time, or exposure to extreme environments, resulting in a drift of neural network weights that cause degraded performance. In searching for ways to develop neural network approaches that perform robustly under these conditions, we propose a biologically-inspired mechanism for the dynamic adaptation of within-neuron parameters that is guided by a global context signal carrying information about perturbations and variability in incoming stimuli. Specifically, we demonstrate that adaptive voltage thresholds or neuronal time constants, when informed by a global context signal, can enable network-level mechanisms to recover from perturbed synaptic weights. Consistent with prior literature, the context-modulated approach is effective for recurrent, but not feedforward networks, by modulating network level dynamics. We demonstrate this approach successfully recovers performance in image classification tasks and spatiotemporal tracking tasks under idealized and Gaussian noise as well as for realistic perturbations from a memristive device when exposed to ionizing radiation. Finally, we discuss how this approach enables the design of robust and energy-efficient neuromorphic systems that perform well, even in resource-constrained scenarios with extreme environments such as edge processing.

context modulation↗

Glyoxal Yield from Isoprene Oxidation and Relation to Formaldehyde: Chemical Mechanism, Constraints from SENEX Aircraft Observations, and Interpretation of OMI Satellite Data

Glyoxal (CHOCHO) is produced in the atmosphere by the oxidation of volatile organic compounds(VOCs). Like formaldehyde (HCHO), another VOC oxidation product, it is measurable from space by solar backscatter. Isoprene emitted by vegetation is the dominant source of CHOCHO and HCHO in most of the world. We use aircraft observations of CHOCHO and HCHO from the Southeast Nexus (SENEX) campaign over the southeast US in summer 2013 to better understand the CHOCHO time-dependent yield from isoprene oxidation, its dependence on nitrogen oxides (NO (sub x) triple bonded to NO plus NO2), the behavior of the CHOCHO-HCHO relationship, the quality of Ozone Monitoring Instrument (OMI) CHOCHO satellite observations, and the implications for using CHOCHO observations from space as constraints on isoprene emissions. We simulate the SENEX and OMI observations with the Goddard Earth Observing System chemical transport model (GEOSChem) featuring a new chemical mechanism for CHOCHO formation from isoprene. The mechanism includes prompt CHOCHO formation under low-NO (sub x) conditions following the isomerization of the isoprene peroxy radical (ISOPO2).The SENEX observations provide support for this prompt CHOCHO formation pathway, and are generally consistent with the GEOS-Chem mechanism. Boundary layer CHOCHO and HCHO are strongly correlated in the observations and the model, with some departure under low-NO (sub x) conditions due to prompt CHOCHO formation. SENEX vertical profiles indicate a free-tropospheric CHOCHO background that is absent from the model. The OMI CHOCHO data provide some support for this free-tropospheric background and show southeast US enhancements consistent with the isoprene source but a factor of 2 too low. Part of this OMI bias is due to excessive surface reflectivities assumed in the retrieval. The OMI CHOCHO and HCHO seasonal data over the southeast US are tightly correlated and provide redundant proxies of isoprene emissions. Higher temporal resolution in future geostationary satellite observations may enable detection of the prompt CHOCHO production under low-NO (sub x) conditions apparent in the SENEX data.

OMI↗

Machine Learning on Heterogeneous, Edge, and Quantum Hardware for Particle Physics (ML-HEQUPP)

The next generation of particle physics experiments will face a new era of challenges in data acquisition, due to unprecedented data rates and volumes along with extreme environments and operational constraints. Harnessing this data for scientific discovery demands real-time inference and decision-making, intelligent data reduction, and efficient processing architectures beyond current capabilities. Crucial to the success of this experimental paradigm are several emerging technologies, such as artificial intelligence and machine learning (AI/ML) and silicon microelectronics, and the advent of quantum algorithms and processing. Their intersection includes areas of research such as low-power and low-latency devices for edge computing, heterogeneous accelerator systems, reconfigurable hardware, novel codesign and synthesis strategies, readout for cryogenic or high-radiation environments, and analog computing. This white paper presents a community-driven vision to identify and prioritize research and development opportunities in hardware-based ML systems and corresponding physics applications, contributing towards a successful transition to the new data frontier of fundamental science.

Gonski, Julia [SLAC]↗