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Soot propensity is studied numerically for an initially binary size, axisymmetric cluster of evaporating drops by defining it as the propensity for nucleation reations to occur; the study does not address physical or chemical processes ensuing after soot nucleation.
We reveiw the chemical processes that are improtant in the evolution form a molecular cloud core to a protostellar disk. These cover both gas phase and gas grain interactions. The current obsevational and theoretical state of this field are discussed.
As human exploration moves beyond low Earth orbit, innovative life support and resource production systems become forerunners for human colonization. Plasma systems allow for complex chemical processes while mitigating consumable needs. Plasma technology and applications can redefine the space environment. With this, scientists at NASA are looking to close known space technology gaps and create a paradigm shift in space-based applications. NASA’s Kennedy Space Center is exploring the use of low-temperature plasma for applications in agriculture, sanitation ,regolith reduction, waste gasification, water activation, and nutrient recovery techniques. Using low temperature plasmas, we report on the success criteria and experimental results for plasma applications for crewed transit and planetary habitation.
The spread of flames over the surface of solid combustible materials is affected by the environmental conditions. Variables such as flow velocity, oxygen concentration, ambient pressure, partial gravity or microgravity, may change the material flammability and influence the fire dynamics. This is an important fire safety issue for space exploration vehicles and space habitats which will very likely have different environments than those currently used on the International Space Station, such as reduced pressure and enriched oxygen concentration (SEA). However, testing experimentally the materials to be used and qualified for space exploration under these conditions is a difficult and expensive task. Here, numerical modeling is used to understand the dominant physico-chemical processes on the concurrent flame spread over thin fabrics under reduced ambient pressure (and in turn, buoyancy) and variable gravitational conditions. The numerical model uses the Fire Dynamics Simulator (FDS6) code with a single-step Arrhenius reaction rate for the solid phase decomposition. Different models are tested for the gas phase combustion kinetics. The model results are validated with experimental results obtained at similar reduced ambient pressure and flow conditions at 1 g. It is shown that as ambient pressure is reduced the flame spread rate over a thin fabric is also reduced, both experimentally and numerically. Numerical results are compared to an analytical approach previously developed to explain the experimental trends. Further interpretation of the model results provides information regarding the physics of the process and how they are affected by the lower pressure environments and gravity conditions. The results of this work provide guidance for potential on-earth testing for fire safety design in spacecraft and space habitats.
The spread of flames over the surface of solid combustible materials is affected by the environmental conditions. Variables such as flow velocity, oxygen concentration, ambient pressure, partial gravity or microgravity, may change the material flammability and influence the fire dynamics. This is an important fire safety issue for space exploration vehicles and space habitats which will very likely have different environments than those currently used on the International Space Station, such as reduced pressure and enriched oxygen concentration (SEA). However, testing experimentally the materials to be used and qualified for space exploration under these conditions is a difficult and expensive task. Here, numerical modeling is used to understand the dominant physico-chemical processes on the concurrent flame spread over thin fabrics under reduced ambient pressure (and in turn, buoyancy) and variable gravitational conditions. The numerical model uses the Fire Dynamics Simulator (FDS6) code with a single-step Arrhenius reaction rate for the solid phase decomposition. Different models are tested for the gas phase combustion kinetics. The model results are validated with experimental results obtained at similar reduced ambient pressure and flow conditions at 1 g. It is shown that as ambient pressure is reduced the flame spread rate over a thin fabric is also reduced, both experimentally and numerically. Numerical results are compared to an analytical approach previously developed to explain the experimental trends. Further interpretation of the model results provides information regarding the physics of the process and how they are affected by the lower pressure environments and gravity conditions. The results of this work provide guidance for potential on-earth testing for fire safety design in spacecraft and space habitats.
As human exploration moves beyond low Earth orbit, innovative life support and resource production systems become forerunners for human colonization. Plasma systems allow for complex chemical processes while mitigating consumable needs. Plasma technology and applications can redefine the space environment. With this, scientists at NASA are looking to close known space technology gaps and create a paradigm shift in space-based applications. NASA’s Kennedy Space Center is exploring the use of low-temperature plasma for applications in agriculture, sanitation, regolith reduction, waste gasification, water activation, and nutrient recovery techniques. Using low temperature plasmas, we report on the success criteria and experimental results for plasma applications for crewed transit and planetary habitation.
NASA needs energy storage for lunar applications where night lasts up to 354 hours. Reversible fuel cell systems are potentially well-suited for long-duration storage but must have high reliability to last the 4-year maintenance cycle. Moving parts (compressors and blowers) are the primary limitation for high reliability fuel cell systems. Further, H2 and O2 have numerous ISRU applications, including propellant, life support, and chemical processes.
Meteorites and samples returned from asteroids and comets provide an important record of the physical and chemical processes that occurred in the early solar system and represent some of the oldest solid materials currently available for laboratory analyses. The delivery of organic matter by extraterrestrial material to the early Earth could have been an important source of complex prebiotic organic molecules available for the emergence of life. Analyses of primitive carbonaceous chondrites over the last five decades have revealed a major insoluble organic component [1,2], as well as a complex and highly diverse suite of soluble organic molecules of prebiotic importance [3,4] that includes carboxylic acids, N-heterocycles, sugars, amino acids, amines, and many other organic molecules that have not yet been identified [5]. Amino acids continue to be a primary focus of many soluble organic analyses in carbonaceous chondrites because (1) these molecules are essential components of life (as the monomers of proteins), (2) they have structural diversity (multiple possible isomers) that can be used to help constrain formation mechanisms and parent body conditions, and (3) most amino acids identified in carbonaceous chondrites are chiral, a property that can be used to distinguish between amino acids of extraterrestrial and terrestrial origins. The degree of parent body hydrothermal alteration has been shown to have a major influence on the formation and destruction of amino acids in carbonaceous meteorites as observed in the measured abundances and molecular distributions [6]. Aqueous alteration in primitive asteroids could have also led to the preferential enrichment of some left-handed amino acids over their right-handed forms, an astounding discovery that suggests that the origin of life on Earth or elsewhere was biased toward left-handed amino acid homochirality [7,8]. This talk will give an overview of what is known about the amino acid composition of carbonaceous chondrites, present some key unanswered questions, and discuss how the analysis of samples returned from asteroids Ryugu and Bennu will further advance our understanding of parent body chemistry and potential contributions from carbonaceous asteroids to the origin of life on Earth or elsewhere.
Human life amongst other planets requires vast technological advancements to sustain nutritional, environmental, and logistical needs. Plasma systems allow for advanced chemical processing while mitigating consumable needs or reliance on industrial infrastructure. Scientists at NASA’s Kennedy Space Center are attempting to close technology gaps with research into plasmas and their applications. Some such work includes the use of plasma for waste gasification, water activation, nutrient recovery techniques, lunar regolith reduction for oxygen extraction, and space crop production support. Here we report on the needs, success criteria, and results of plasma efforts for crewed transit and planetary habitation.
The surfaces of Ice Worlds record evidence of interior processes, chemical potential, habitability, and potentially life within the interior. Volatile and organic chemistry at the surface is critical in determining habitability and detecting the presence of past or extant life. Radioisotope Power Systems (RPS) could be an enabling technology for in situ missions to ice worlds, providing both power and heat for long durations where solar power would not be feasible. However, it is necessary to understand the potential impact of RPS upon the local environment, to ensure that the rejected heat from RPS does not compromise science measurements or planetary protection requirements. To address these concerns, an RPS Ice World Lander Study was carried out in 2019 to investigate possible requirements on RPS surface mission concepts and approaches to excess heat management. The study focused on two destinations that are representative of the range of potential environments: Europa and Enceladus.Initial analysis showed that, due to the very low pressures on the surfaces of most ice world targets, surface melting does not occur because the water ice does not meet the triple-point. A 4 kW heat source suspended above the surface of Europa or Enceladus would not cause any melting, only sublimation.The study used a surface sublimation limit of 10 cm over a two-year period (the baseline for the recent Europa Lander study). To stay within this limit, Europa, with its relatively warm surface, could tolerate only 10 W/m2 of surface heat flux. Enceladus, with its relatively cold pure ice composition, could tolerate up to 100 W/m2.Various lander and heat shield configurations were analyzed for their heat flux radiated from the RPS to the surface. For a given heat shield configuration, the study team determined the minimum height of the RPS above the surface for which the heat flux would be within the accepted parameters for Europa and for Enceladus. Based on these thermal analyses, such RPS-powered landers could remain compliant with science investigation and planetary protection requirements with only modest mass allocated to spacecraft thermal accommodations.
Passive cooling of cryogenic instruments is one of the most challenging aspects of spaceflight thermal control systems. They are highly sensitive to parasitic heat leaks from their warmer environment, especially the spacecraft components. The L’Ralph instrument on the Lucy mission is an example of such a system, with its LEISA detector requiring passive cooling to temperatures below 112 K. MLI performance can be measured in terms of estar, and analysts apply bias between a high and low estar value. This approach works well for conventional MLI at room temperature, however, it can be dangerous when a mission goes through a wide range of temperatures during its lifetime, with estar values increasing exponentially as temperatures get colder. Various estar correlations are presented as well as how L’Ralph is approaching the MLI problem with the use of IMLI. IMLI uses discrete spacers to isolate each layer, and doesn’t require intermediate layers such as dacron netting. This results in estar performance that can be more precisely estimated, and yields valuesaround 0.004 at the 112K operating temperature. L’Ralph is using IMLI on the backside of the radiator, which permits a more effective use of increased radiator area, by minimizing the area dependent heat leak impact from the instrument backloading. The detector is thermally coupled to the radiator via a diffusion bonded Cu strap. The diffusion bonding process chemically bonds the Cu foil ends in order to maximize heat transfer effectiveness across the multiple foils used. Employing a pressure compensation design via the use of Ti blocks and a clamp at the strap ends ensures that as temperatures go colder, pre-load is maintained in order to minimize resistance at the strap ends. The use of both of these technologies, and how they work together are crucial to the success of the L’Ralph thermal control system.
Computational models of the Earth System are critical tools for modern scientific inquiry. Effortstoward evaluating and improving errors in representations of physical and chemical processes inthese large computational systems are commonly stymied by highly nonlinear and complexerror behavior. Recent work has shown that these errors can be effectively predicted usingmodern Artificial Intelligence (A.I.) techniques. In this work, we go beyond these previousstudies to apply an interpretable A.I. technique to not only predict model errors but also movetoward understanding the underlying reasons for successful error prediction. We use XGBoostclassification trees and SHapley Additive exPlanations (SHAP) analysis to explore the errors inthe prediction of lightning occurrence in the NASA GEOS model, a widely used Earth SystemModel. This explainable error prediction system can effectively predict the model error andindicates that the errors are strongly related to convective processes and the characteristics ofthe land surface.
Large wildfires markedly alter regional atmospheric composition, but chemical complexity challenges model predictions of downwind impacts. Here, we elucidate key facets of gas-phase photochemistry and assess novel chemical processes via a case study of the 2013 California Rim Fire plume. Airborne in situ observations, acquired during the NASA Studies of Emissions, Atmospheric Composition, Clouds and Climate Coupling by Regional Surveys (SEAC4RS) mission, illustrate the evolution of volatile organic compounds (VOC), oxidants, and reactive nitrogen over 12 hours of atmospheric aging. Measurements show rapid formation of ozone and peroxyacyl nitrates (PNs), sustained peroxide production, and prolonged enhancements in oxygenated VOC and nitrogen oxides (NOX). Measurements and Lagrangian trajectories constrain a 0-D puff model that approximates plume photochemical history and provides a framework for evaluating key processes. Simulations examine the effects of 1) previously-unmeasured reactive VOC identified in recent laboratory studies, and 2) emissions and secondary production of nitrous acid (HONO). Inclusion of estimated unmeasured VOC leads to a 250% increase in OH reactivity and a 70% increase in radical production via oxygenated VOC photolysis. HONO amplifies radical cycling and serves as a downwind NOX source, although two different HONO production mechanisms (particulate nitrate photolysis and heterogeneous NO2 conversion) exhibit markedly different effects on ozone, NOX, and PNs. Analysis of radical initiation rates suggests that oxygenated VOC photolysis is a major radical source, exceeding HONO photolysis when averaged over the first 2 hours of aging. Ozone production chemistry transitions from VOC-sensitive to NOX-sensitive within the first hour of plume aging, with both peroxide and organic nitrate formation contributing significantly to radical termination. To simulate smoke plume chemistry accurately, models should simultaneously account for the full reactive VOC pool and all relevant oxidant sources.
The detection of Lead (Pb) heavy metal in water is crucial in many chemical processes as it is associated with serious health hazard. Here, we report the selective and precise colorimetric detection of Pb 2+ ions in water exploiting the mechanisms of aggregation and self-assembly of Glutathione (GSH) functionalized gold nanoparticles (GNPs). The carboxyl functional groups are available to create coordination complexes with Pb 2+ inducing aggregation amongst the GSH-GNPs in the presence of Pb 2+ due to the chelation of the GSH ligands. The resulting aggregation of amongst the GSHGNPs in the presence of Pb2+ increases the aggregate size depending on available Pb 2+ ions affecting the plasmonic coupling. This causes in a substantial shift in the plasmon wavelength to a longer wavelength side with increasing Pb 2+ concentration, resulting in a red-to-blue colorimetric or visual change, enabling instant determination of lead content in water.
Reactive molecular dynamics (MD) is a powerful tool for atomistic-scale modeling of a diverse range of chemical processes. However, scaling these simulations to large systems and long times scales remains a challenge because of the complexity of the potential energy function required. The authors previously developed a heuristic approach, called REACTER, that incorporates reactivity in MD simulations in a less general but much more computationally efficient manner. REACTER uses standard, fixed valence force fields as the underlying potentialenergy surface for describing all interatomic interactions but adds a procedure for enforcing user-defined reactions that occur when certain geometric constraints on relative atomic positions are satisfied. Further, these bonding changes can be accepted or rejected with a probability related tothe local thermal energy. This work seeks to generalize this approach by replacing the set of user defined geometric constraints and energetic criteria with a committor function that specifies the probability of a reaction occurring on the basis of the local atomic configuration. The committor function is a useful mathematical tool for modeling rare events but, unfortunately, is very difficult to compute for realistic systems in a general way. This work describes a method for approximating the committor function using a machine learning approach, specifically a deep neural network trained with data from reactive MD and DFT-based dynamics simulations. This network is coupled to the existing REACTER protocol, as implemented in the LAMMPS MD package, and used to make on-the-fly predictions of reaction probabilities without the more extensive user input previously required. The new method is demonstrated using the polymerization of polystyrene as a case study. Although very dependent on the quality and quantity of training data, machine-learned committor functions show promise as a method for incorporating reaction probability from higher level calculations into highly scalable MD simulations.
The objective of this work was to assess the impact of flow field - material response cou-pling on reproducing temperatures within the Mars 2020 forebody thermal protection system.Both equilibrium and nonequilibrium coupled material response approaches were considered.Turbulent transition estimates were included in the flow field modeling based on transitiontimes inferred from flight measurements. A coupled equilibrium ablation model was foundto overpredict the in-depth temperatures near the surface by over 100 K in the stagnationregion and by about 200 K near the leeside shoulder, which was subject to turbulent heatingaugmentation. For nonequilibrium ablation, two finite rate surface chemistry models wereused to model the chemical process on the vehicle surface. The first was a model consistingof N2catalysis and CO2recombination model, and the second was a model consisting of onlyN2and O2catalysis. Near the stagnation point, the N2and CO2model was found to be withinabout 10 K from the peak in-depth temperature near the surface; however, overpredictionof the in-depth temperatures was observed early in the trajectory, similar to the equilibriumablation model. The N2and O2catalysis model was found to significantly underpredict nearsurface in-depth temperatures.
Refractory Ca-Al-rich Inclusions (CAIs) with FUN (Fractionation with Unidentified Nuclear effects) characteristics are peculiar samples among all high-temperature components in chondritic meteorites. They are generally characterized by strong mass-dependent isotopic fractionations in several elements (e.g., O, Mg, Ca, Ti), large (~5-20‰) enrichments or depletions in neutron-rich isotopes (e.g., 48 Ca, 50 Ti, 54 Cr), and low inferred abundances of 26 Al ( 26 Al/ 27 Al < 1×10 −5 ). Understanding the origins of these features in FUN CAIs can shed light on the astrophysical environment and chemical processes that took place in the early Solar System. A large fraction (slightly less than 50%) of the ~20 FUN CAIs discovered so far are hibonite-rich (such as HAL, SHAL and DH-H1, collectively called HAL-type inclusions hereafter). According to their elemental and isotopic signatures and the results of evaporation experiments, HAL-type inclusions are thought to have formed as a distillation residue. However, questions regarding the timing of the formation of HAL-type inclusions (or FUN inclusions in general) relative to those of regular CAIs and the decoupling between the 26 Al abundances and nucleosynthetic anomalies remain poorly understood. In 2021, we reported the discovery of a new HAL-type inclusion, HIDALGO (Hibonite in Dar al Gani CO3) in the CO3 chondrite Dar al Gani 027 (DaG027), based on its (fractionated) oxygen isotopic compositions and low inferred 26 Al/ 27 Al ratio of (1.50±0.02)×10 −5 . Since then, more work on other short-lived and stable isotope systems and trace element abundances has been conducted. Here we report these new results and discuss the implications for the possible formation history of HIDALGO and origins of shortlived radionuclides (SLRs).
Gas-phase molecules in cometary atmospheres (comae) originate primarily from (1) outgassing by the nucleus, (2) sublimation of icy grains in the near-nucleus coma, and (3) coma (photo)chemical processes. However, the majority of cometary gases observed at radio wavelengths have yet to be mapped, so their production/release mechanisms remain uncertain. Here we present observations of six molecular species toward comet 46P/Wirtanen, obtained using the Atacama Large Millimeter/submillimeter Array during the comet's unusually close (∼0.1 au) approach to Earth in 2018 December. Interferometric maps of HCN, CH 3 OH, CH 3 CN, H 2 CO, CS, and HNC were obtained at an unprecedented sky-projected spatial resolution of up to 25 km, enabling the nucleus and coma sources of these molecules to be accurately quantified. The HCN, CH 3 OH, and CH 3 CN spatial distributions are consistent with production by direct outgassing from (or very close to) the nucleus, with a significant proportion of the observed CH 3 OH originating from sublimation of icy grains in the near-nucleus coma (at a scale length L p = 36 ± 7 km). On the other hand, H 2 CO, CS, and HNC originate primarily from distributed coma sources (with L p values in the range 550–16,000 km), the identities of which remain to be established. The HCN, CH 3 OH, and HNC abundances in 46P are consistent with the average values previously observed in comets, whereas the H 2 CO, CH 3 CN, and CS abundances are relatively low.