Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “PAHs”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

From the Interstellar Medium to Ocean Worlds: new challenges for Laboratory Astrophysics

From the Interstellar Medium to Ocean Worlds: new challenges for Laboratory Astrophysics For the past 35+ years, laboratory experiments in Astrophysics have been focusing on identifying and understanding the molecular species and chemistry occurring in interstellar environments, such as the diffuse interstellar medium (ISM) and dense molecular clouds. A significant portion of these laboratory efforts concerns investigations of carbon-based molecules ranging in size from a single carbon atom (e.g., CO, CO2, H2CO) to large polycyclic aromatic hydrocarbon (PAH) molecules potentially consisting of more than one hundred carbon atoms as well as their reactions with H2O and other interstellar species. The laboratory facilities built to conduct these investigations are capable of monitoring the chemistry and measuring the spectra under a wide range of interstellar conditions (e.g., low temperatures and pressures). The past 15 years of space exploration revealed the presence of at least nine other Ocean Worlds, besides Earth, in our Solar System. These worlds include moons and dwarf planets, ice-covered surfaces, subsurface oceans, as well as geysers venting H2O and other compounds, including organics in at least one environment, into space. Although these worlds represent environments that are significantly different from those traditionally considered the realm of Laboratory Astrophysics, their facilities are well situated to provide insight into the chemistry occurring in and around these worlds as well as experimental data for the interpretation of observations from missions visiting these Ocean World. This presentation will discuss the areas where Laboratory Astrophysics can provide experimental data to help understand the chemistry, and mission data of Ocean Worlds, and the challenges research into Ocean Worlds presents to our current facilities and how they can be overcome. Lastly, this presentation will introduce the new ICEE (In-situ Carbon Evolution Experiments) facility at NASA Ames Research Center as an example of how a lab dedicated to Laboratory Astrophysics can adapt itself to also meet the needs for Ocean Worlds research.

Andrew Lige Mattioda↗
NASA NTRSDate not supplied

Researching the Planetary Environment with an Interstellar Probe

In 2018, a study originated with the idea of a mission that would be feasible to launch in the 2030s, targeting 1000 AU within 50 years using current technology. While the primary objective of such an Interstellar Probe would be to understand the heliosphere and interstellar medium, this probe offers an excellent opportunity for rock, dust, and ice sciences. In the initial stages of its journey through the solar system, this Interstellar Probe would carry out a wide range of potential observations to study the planetary environment, particularly focusing on dust/ice analysis and planetary science through fly-bys of critical science targets, especially in the trans-Neptunian region. A flyby of a trans-Neptunian dwarf planet, such as Quaoar, would provide further geological, compositional, and geophysical context for Earth-based observations. Aside from in-situ remote sensing techniques, VISIR and dust analyses would also benefit in this region of the solar system to determine (i) dominant ice and dust compositions and potential variations depending on heliocentric distance (e.g., chemical or irradiated products); (ii) collections and identification of PAH-type components; and (iii) solar nebula chemical and mechanical processing, such as collisions. The purpose of our poster is to provide a background of the Interstellar Probe’s objectives and possible instrumentation to offer insight on current questions about the planetary environment.

C J Ahrens↗
NASA NTRSDate not supplied

Soluble Organic Matter (SOM) analysis of the Hayabusa2 samples: The first results

The Hayabusa2 spacecraft successfully collected the surface and possible sub-surface materials of the asteroid 162173 Ryugu. Ryugu is a C-type asteroid characterized by a low-albedo surface probably consisting of hydrous minerals and carbonaceous materials. [1] The direct optical and spectral analysis of the returned samples indicates that Ryugu material is dominated by hydrous carbonaceous chondrite-like matter (similar to CI chondrites) [2]. Since carbonaceous chondrites have generally yielded various types of organic matter, the collected Ryugu grains are expected to contain diverse types of organic compounds including bio-related molecules. The occurrence of organic compounds in the Ryugu surface will provide clues to the evolution of prebiotic molecules and their preservations associated with aqueous alteration of the primitive asteroid. The initial analysis of soluble organic matter (SOM) of the Hayabusa2-returned samples has been performed by an international team consisting of 32 members. Because the sample amount available for comprehensive SOM analyses is limited, and because the SOM is expected to be present as a complex mixture of various types of organic compounds with very small concentrations of each compound, high-sensitivity and high-resolution analytical techniques have been developed using carbonaceous meteorites [e.g. 3]. Two aggregate samples of the Ryugu grains (A106 and C107) were allocated for the solvent extractions and bulk carbon (C), hydrogen (H), nitrogen (N), sulfur (S) and oxygen (O) measurements. The A106 sample was collected during the 1st sampling in February 2019 and the C107 sample was collected during the 2nd sampling in July 2019 after the Small Carry Impactor (SCI) operation. They consist mainly of particles smaller than 1 mm in diameter, and each sample mass was 38-39 mg. They were firstly investigated spectroscopically in the near infrared wavelength range by the Stone Team prior to the solvent extractions. Other small grains (A0080 and C0057) were also allocated for this study to investigate the spatial distribution of organic compounds on the sample surface. The extraction and analytical measurements implemented by the SOM Team are summarized in Figure 1. Each powder sample was extracted sequentially with non-polar to polar solvents, i.e., hexane, dichloromethane (DCM), methanol (MeOH) and H2O, for non-targeted analysis to reveal the compound composition. Each solvent extract was analyzed by solution state nuclear magnetic resonance (NMR) spectroscopy [4], Fourier transform- ion cyclotron resonance/mass spectrometry (FT-ICR/MS) with ESI and APPI ionization [5] and by high-resolution mass spectroscopy using Orbitrap MS coupled with nano-liquid chromatography (nanoLC/Orbitrap MS) [6], and using two dimensional gas chromatography/mass spectrometry (GC×GC/MS). The extracted residues were passed to the Chemistry Team for further inorganic element analysis. The other powder sample was subjected to the hot water extraction for amino acid analyses including chiral isomer separation, which was performed by three-dimensional (3D) high-performance liquid chromatography (HPLC) with high-sensitivity fluorescence detection (FD) [7] and by HPLC/FD coupled with quadrupole-time of flight/mass spectrometry (QToF/MS) [8]. After the hot water extraction, the residue was split into two halves. One half was further extracted with hydrochloric acid (HCl) to analyze for amino acids in bound-form. The other half was sequentially extracted with DCM/MeOH (1/1) to analyze semi-polar compounds such as polycyclic aromatic hydrocarbons (PAHs) by GC/MS, followed by further extraction with formic acid to analyze polar heterocyclic compounds, and subsequent extraction with HCl to detect bound-form polar compounds. The extracted residues were passed to the IOM Team for the analysis of insoluble organic matter (IOM). Compound-specific stable isotope analyses will be performed using GC/combustion/isotope ratio mass spectrometry (GC/C/IRMS) if the compound concentration is high enough to enable such an isotopic measurement. All extraction procedures were performed on an ISO 6 (Class 100) clean bench inside an ISO 5 (Class 1000) clean room. Baked serpentine powder was also analyzed as a procedural blank. In situ organic compound analysis with the molecular imaging was performed using desorption electrospray ionization (DESI) equipped with Orbitrap MS [9, 10], followed by spatial imaging of organic compounds using ToF/secondary ion mass spectrometry (ToF/SIMS) [11]. The bulk chemical and isotopic compositions of CNS and HO were determined using nano-elemental analysis/isotope ratio mass spectrometry (nanoEA/IRMS) [12] and EA/pyrolysis/IRMS, respectively. We have identified a variety of indigenous organic compounds in the extracts of both A106 and C107 samples. The Ryugu grains host organic molecules under the high-vacuum and cosmic-ray irradiation environment of the asteroid surface. The analysis of extracted molecules is in progress, and the first results will be presented at the symposium.

Hiroshi Naraoka↗
NASA NTRS2019

The Non-Destructive Separation of Diverse Astrobiologically Relevant Organic Molecules By Customizable Capillary Zone Electrophoresis and Monolithic Capillary Electrochromatography

The in situ detection of organic molecules in space is key to understanding the variety and the distribution of the building blocks of life, and possibly the detection of extraterrestrial life itself. Gas chromatography mass spectrometry (GC-MS) has been the most sensitive analytical instrument for organic analyses in flight, and was used on missions from NASA’s Viking, Phoenix, Curiosity missions to ESA’s Rosetta space probe. While pyrolysis GC-MS revealed the first organics on Mars, this step alters or degrades certain fragile molecules that are excellent biosignatures including polypeptides, oligonucleotides and polysaccharides, rendering the intact precursors undetectable. We have identified a solution tailored to the detection of biopolymers and other biomarkers by the use of liquid-based capillary electrophoresis and electrochromatography. In this study, we show that a capillary electrochromatography (CEC) approach using monolithic stationary phases with tailor-made surface chemistry can separate and identify various polycyclic aromatic hydrocarbons (PAHs), nucleobases and aromatic acids that could be formed under astrophysically relevant conditions. In order to simulate flyby organic sample capture, we conducted hypervelocity impact experiments which consisted of accelerating peptide-soaked montmorillonite particles to a speed of 5.6 km/sec, and capturing them in an amorphous silica aerogel of 10 and 30 mg/cc bulk density. Bulk peptide extraction from aerogel followed by capillary zone electrophoresis led to the detection of only two stereoisomeric peptide peaks. The recovery rates of each step of the extraction procedure after the hypervelocity impact suggest that major peptide loss occurred during the impact. Our study provides initial exploration of feasibility of this approach for capturing intact peptides, and subsequently detecting candidate biomolecules during flight missions that would be missed by GC-MS alone. As the monolith-based electrochromatography technology could be customized to detect specific classes of compounds as well as miniaturized, these results demonstrate the potential of the instrumentation for future astrobiology-related spaceflight missions.

Flyby sample return↗
NASA NTRS2024

JWST Mid-Infrared Spectroscopy Resolves Gas, Dust, and Ice in Young Stellar Objects in the Large Magellanic Cloud

In this work, we present spectra of 11 young stellar objects (YSOs) taken with the Mid-Infrared Instrument (MIRI) / Medium Resolution Spectroscopy (MRS) instrument onboard the James Webb Space Telescope (JWST). The YSOs are located in the N79 region of the Large Magellanic Cloud (LMC), an active star forming region with hundreds of Spitzer - and Herschel-identified YSOs and host to super star cluster (SSC) candidate H72.97-69.39. The three giant molecular clouds (GMCs) in N79 (East, West, and South) have varying star formation rates and stellar populations. MRS follow-up observations of four Spitzer -identified YSOs in N79 East, West, and South reveal that what seemed to be a single, massive YSO is actually a cluster of YSOs. We discuss the emission and absorption lines of six YSOs which have complete or almost-complete spectral coverage from 4.9 – 27.9 µm. YSO Y3, located in N79 East, is the youngest source in this study and likely to be less than 10,000 years old inferred from the prominent CH 4 , NH 3 , CH 3 OH, CH 3 OCHO, and CO 2 ice absorption features. The most luminous source is the central ionizing YSO of SSC H72.97-69.39, Y4, which has dozens of fine-structure and H 2 emission lines. Unlike the other YSOs in this work, Y4 has no polyaromatic hydrocarbon (PAH) emission lines due to the intense ionizing radiation destroying these large carbon chain molecules. The mass accretion rate based on H I (7-6) line luminosity of YSOs Y1, Y2, Y4, and Y9 range between 1.22 × 10 −4 – 1.89 × 10 −2 M ⊙ yr −1 For the first time in the mid-infrared, we are able to resolve individual high-mass protostars forming in small clusters in an extra-galactic environment like the LMC.

Omnarayni Nayak↗
NASA NTRSDate not supplied

Field Tests With Trident Drill in Bishop Tuff Help Prepare for Future Missions to Moon and Mars

We performed drilling in volcanic deposits near Bishop California using an engineering model of the Honeybee Robotics TRIDENT (The Regolith and Ice Drill for Exploration of New Terrains) drill [1] a rotary percussive 1-meter class drill that is carried on the PRIME1and VIPER (Volatiles Investigating Polar Exploration Rover)[2] missions that launch in 2024. A similar drilling system was planned for the proposed Icebreaker Discovery class mission to Mars [3] and the Mars Life Explorer mission recommended by the 2020 Decadal Survey of planetary science [4]. The objectives of the project were (1) to use data collected by the drill for operational purposes as a probe of subsurface material properties in formations that are analogous to those that may be encountered on planetary surfaces; (2) correlate subsurface structures with those deduced from Ground Penetrating Radar (GPR); and (3) inspect the boreholes after they were drilled to test PERISCOPE (Probe for Exploring Regolith and Ice by Subsurface Classification of Organics, polycyclic aromatic hydrocarbons (PAHs), and Elements), a newly developed downhole UV fluorescence spectrometer [5].

Carol R. Stoker↗
NASA NTRSDate not supplied

Mission Concept, Science, and Technology of the PRIMA Astrophysics Probe

PRIMA addresses questions about the origins and growth of planets, supermassive black holes, stars, and dust. Much of the radiant energy from these formation processes is obscured and only emerges in the far infrared (IR) where PRIMA observes (24–261 um). PRIMA’s PI science program (25% of its 5-year mission) focuses on three questions and feeds a rich archival Guest Investigator program: How do exoplanets form and what are the origins of their atmospheres? How do galaxies’ black holes and stellar masses co-evolve over cosmic time? How do interstellar dust and metals build up in galaxies over time? PRIMA provides access to atomic (C, N, O, Ne) and molecular lines (HD, H2O, OH), redshifted PAH emission bands, and far-IR dust emission. PRIMA’s 1.8-m, 4.5-K telescope serves two instruments using sensitive KIDs: the Far-InfraRed Enhanced Survey Spectrometer (continuous, high-resolution spectral coverage with over an order of magnitude improvement in spectral line sensitivity and 3-5 orders of magnitude improvement in spectral survey speed) and the PRIMA Imager (hyperspectral imaging, broadband polarimetry). PRIMA opens new discovery space with 75% of the time for General Observers.

Jason Glenn↗
DOE OSTI2020

A numerical study on the sooting tendencies of bio-derived fuels for spark-ignition engines

While more efficient vehicles have been developed over the decades, their performance is limited by the properties of existing fuels. In response, the Co-Optimization of Fuels and Engines Initiative (Co-Optima) under the U.S. Department of Energy (DOE) has developed a rigorous screening approach to identify the most promising biomass-derived blendstocks that are suitable for advanced spark-ignition (SI) engines. A detailed kinetic model has also been developed to predict the combustion properties of the selected blendstocks. This kinetic model has been designed mainly targeting ignition and flame propagation properties, and it has not previously been validated for soot formation. In this work, we numerically predicted the sooting tendency of 20 Co-Optima SI blendstocks using the Co-Optima kinetic model. The sooting tendencies are determined quantitatively using the Yield Sooting Index (YSI) methodology. As shown in Fig. 1, the predicted YSIs show good agreement with measurements, except for 2,5-dimethylfuran. We also quantify the sensitivity of the YSI predictions to aromatic growth reactions and fuel decomposition reactions of the test fuels. It is found that PAH growth reactions have little impact on YSIs for all 20 fuels under investigation. On the other hand, fuel decomposition reactions have a significant influence on the YSI of 2,5-dimethylfuran. Perturbing their reaction rates by a factor of two is shown to lead to 11 % YSI prediction uncertainty.

09 BIOMASS FUELS↗
DOE OSTI2021

Experimental observation of hydrocarbon growth by resonance stabilized radical-radical chain reaction

Rapid molecular weight growth of hydrocarbons occurs in flames, in industrial synthesis, and potentially in cold astrochemical environments. A variety of high- and low-temperature chemical mechanisms have been proposed and confirmed, but more facile pathways may be needed to explain observations. Here, we provide laboratory confirmation in a controlled pyrolysis environment of a recently proposed mechanism, radical-radical chain reactions of resonance-stabilized species. The recombination reaction of phenyl (c-C 6 H 5 ) and benzyl (c-C 6 H 5 CH 2 ) radicals produces both diphenylmethane and diphenylmethyl radicals, the concentration of the latter increasing with rising temperature. A second phenyl addition to the product radical forms both triphenylmethane and triphenylmethyl radicals, confirming the propagation of radical-radical chain reactions under the experimental conditions of high temperature (1100-1600 K) and low pressure (~3 kPa). Similar chain reactions may contribute to particle growth in flames, the interstellar medium, and industrial reactors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

The role of radical-radical chain-propagating pathways in the phenyl + propargyl reaction

Well-skipping radical-radical reactions can provide a chain-propagating pathway for formation of polycyclic radicals implicated in soot inception. Here we use controlled pyrolysis in a microreactor to isolate and examine the role of well-skipping channels in the phenyl (C 6 H 5 ) + propargyl (C 3 H 3 ) radical-radical reaction at temperatures of 800-1600 K and pressures near 25 Torr. The temperature and concentration dependence of the closed-shell (C 9 H 8 ) and radical (C 9 H 7 ) products are observed using electron-ionization mass spectrometry. The flow in the reactor is simulated using a boundary layer model employing a chemical mechanism based on recent rate coefficient calculations. Further, comparison between simulation and experiment shows reasonable agreement, within a factor of 3, while suggesting possible improvements to the model. In contrast, eliminating the well-skipping reactions from the chemistry mechanism causes a much larger discrepancy between simulation and experiment in the temperature dependence of the radical concentration, revealing that the well-skipping pathways, especially to form indenyl radical, are significant at temperatures of 1200 K and higher. While most C 9 H 7 forms by well-skipping at 25 Torr, an additional simulation indicates that the wellskipping channels only contribute around 3% of the C 9 H x yield at atmospheric pressure, thus indicating a negligible role of the well-skipping pathways at atmospheric and higher pressures.

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

The effect on soot and its gas precursors of doping ethylene with 2,2,4,6,6-pentamethyl-heptane in the nitrogen-fuel stream of a laminar non-premixed Planar Mixing Layer Flame (PMLF)

Synthetic Aviation Turbine Fuels (SATFs) are promising for reducing soot emissions from the aviation sector and diversifying Jet Fuel (JF) sources. Accurately predicting the combustion and emissions behavior of SATFs (and other JFs) necessitates robust experimental databases to elucidate the chemistry of long-chain iso-paraffins, which can compose up to two-thirds of SATF blends and whose behavior is considered to be well-represented by that of iso-dodecane isomers. Here, this study characterizes two laminar non-premixed Planar Mixing Layer Flames (PMLFs) with mild soot loads fueled by nitrogen-diluted ethylene, pure and doped with 2,2,4,6,6-pentamethyl-heptane, respectively. The two PMLFs have the same stoichiometric mixture fraction and total hydrocarbon mole fraction in the fuel stream (X F,F =X C2H4,F +X C12H26,F = 0.260), resulting in nearly the same maximum temperature (T max ≈1800 K) and simple identification of the effects of doping. Importantly, any horizontal PMLF cross-section has a self-similar structure that can be modeled as an equivalent One-Dimensional Counterflow Flame (1D-CF) with vanishingly small strain rate (a). The cross-section at a Height Above the Burner (HAB) of 50 mm is characterized in terms of C 0 -C 18 gas species using capillary sampling followed by GC-MS analyses. Laser-Induced Emission Spectroscopy (LIES) quantifies the soot volume fraction (ƒ v ) profiles at HAB=25 and 50 mm where Elastic Laser Light Scattering (E-LLS) is performed to determine the a of the equivalent 1D-CFs and the profile of the E-LLS equivalent diameter ( d 6,3 ) of soot. The substitution of 1500 ppm of ethylene with 2,2,4,6,6-pentamethyl-heptane causes an increase of ≈1.5 in the concentrations of several polycyclic aromatic hydrocarbons and fv. Concurrently, the measured d 6,3 doubles in the oxidizer stream, yet remains the same in the fuel stream, at HAB=50 mm. Instead, at HAB= 25 mm, the iso-dodecane doping does not affect the d 6,3 profile in either stream. The experimental results partially validate the chemical reactions and soot formation kinetic model developed at Lawrence Livermore National Laboratory and provide directions to further improve its predictions.

Iso-dodecane (2,2,4,6,6-Pentamethyl-Heptane)↗
DOE OSTI2022

Editorial: Particulate Matter Emissions From Conventional and Reformulated Fuel Combustion: Advances in Experiments and Simulations

Particulate matter (PM or soot) emissions generated by combustion of conventional and reformulated fuels adversely impact the environment and human health (Bond et al., 2013; Landrigan et al., 2018; World Health Organization (WHO), 2016), generating public awareness and motivating efforts towards the mitigation of their harmful effects. Soot formation is one of the most complex phenomena in combustion, involving interactions between combustion chemistry, fluid mechanics, mass/heat transport, and particle dynamics, spanning different spatial and temporal scales. A fundamental understanding of soot formation process is thus necessary to achieve a strong reduction of PM emissions and design cleaner and more efficient combustion systems. This has motivated a longstanding and ongoing research activity aimed at improving our understanding of the physical and chemical processes involved in soot formation, well reviewed in these recent works (Wang and Chung, 2019; Michelsen et al., 2020; Martin et al., 2022). Despite the wide interest, the transition from gas-phase molecules to incipient soot particles is still elusive and the successive particle growth and oxidation processes are far from being fully understood, especially in conditions relevant to real-world applications. Recent advances in combustion PM emission diagnostic and computational capabilities helped in improving the predictability of fundamental chemical and aerosol models for practical applications, thus tackling some of the above-mentioned challenges. The aim of this research topic is to display the ongoing research efforts in addressing the existing gaps on particulate formation from various fuel sources and in conditions typical of practical combustion applications (e.g. flames, engines, pool fires), through both experimental and numerical approaches.

42 ENGINEERING↗
NASA NTRS2022

Un-numbered Operational Areas, PRL 229, Railroad Tie Disposal Area Pond Confirmatory Sampling Work Plan

This Confirmatory Sampling Work Plan presents the approach to be used to determine if the pond in the Un-numbered Operational Areas (Potential Release Location 229) has contamination associated with the adjacent railroad tie disposal area. The Work Plan describes sampling and analytical requirements and the approach that will be used for the screening level ecological assessment.

railroad tie↗