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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

ThAu 2 – , ThAu 2 O – , and ThAuOH – anions: Photoelectron spectroscopic and theoretical characterization

The thorium–gold negative ions ThAu 2 – , ThAu 2 O – , and ThAuOH – have been observed and experimentally characterized by anion photoelectron spectroscopy. These experiments are accompanied by extensive ab initio electronic structure calculations using a relativistic composite methodology based primarily on coupled cluster singles and doubles with perturbative triples calculations. The theoretical electron affinities (EAs) at 0 K agree with the experimental adiabatic EAs to within 0.02 eV for all species. Two separate isomers were located in the calculations for ThAuOH – , and detachment from both of these appears to be present in the photoelectron spectrum. Excited electronic states of the neutral molecules are reported at the equation of motion-coupled cluster singles and doubles level of theory. Atomization energies and heats of formation are also calculated for each neutral species and have expected uncertainties of 3 and 4 kcal/mol, respectively. The σ bonds between Th and Au are determined by natural bond orbital analysis to consist of predominately sd hybrids on Th bonding with the Au 6s orbital. In order to investigate the correspondence between the bonding in Th–Au and Th–F molecules, a limited number of calculations were also carried out on most of the F-analogs of this study. These results demonstrate that Au does behave like F in these cases, although the Th–F σ bonds are much more ionic compared to Th–Au. This results in an EA for ThF 2 that is 10 kcal/mol smaller than that of ThAu 2 . The EA values for the Th(IV) species, i.e., ThX 2 O and ThXOH, only differed, however, by 3–4 kcal/mol.

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

Explosion behavior investigation and safety assessment of large-format lithium-ion pouch cells

We report large-format lithium-ion (Li-ion) batteries with high energy density for electric vehicles are prone to thermal runaway (or even explosion) under abusive conditions. In this study, overcharge induced explosion behaviors of large-format Li-ion pouch cells with Li[Ni 0.8 Co 0.1 Mn 0.1 ]O 2 cathode at different current rates (C-rates) (0.5C, 1C, 2C) were investigated. The explosion characteristics of the cells were elucidated by discussing the evolution of the cell voltage, the surface temperature and the shock wave pressure. Generally, the whole overcharge process could be divided into four stages according to the evolution of several key parameters and the overcharge behaviors; the overcharge C-rate has a great influence on cells’ thermal behaviors. The experimental results showed that the thermal runaway process of Li-ion cells caused by overcharging consisted of two kinds of explosions, physical explosion and chemical explosion. The existence of observable negative pressure zone in the pressure curves indicated that the Li-ion cells are not a self-supplying oxygen system during the explosion. Further, the explosion dynamics parameters were matched. An explosion TNT-equivalent conversion strategy that depended on the pressure of the shock wave was utilized to evaluate the released energy and its hazards. In addition, with respect to the overcharge of Li-ion pouch cells, a safety assessment method and a safety management method were proposed based on the explosion behaviors. From the perspective of battery safety, this study is of great significance for the safety design of Li-ion cells and can provide guidance for engineers to optimize the safety function of battery packs.

25 ENERGY STORAGE↗
NASA NTRS1971

Heavy ion plasma confinement in an RF quadrupole trap

The confinement of an electron free plasma in a pure quadrupole RF electric trap was considered. The ultimate goal was to produce a large density of mercury ions, in order to realize a trapped ion frequency standard using the hyperfine resonance of 199 Hg(+) at 40.7 GHz. An attempt was made to obtain an iodine plasma consisting of equal numbers of positive and negative ions of atomic iodine, the positive iodine ions, being susceptible to charge-exchange with mercury atoms, will produce the desired mercury ions. The experiment showed that the photoproduction of ions pairs in iodine using the necessary UV radiation occurs with a small cross-section, making it difficult to demonstrate the feasibility of space charge neutralization in a quadrupole trap. For this reason it was considered expedient to choose thallium iodide, which has a more favorable absorption spectrum (in the region of 2000 to 2100 A). The results indicate that, although the ionic recombination is a serious limiting factor, a considerable improvement can be obtained in practice for the density of trapped ions, with a considerable advantage in lifetimes for spectroscopic purposes. The ion pair formation by photoionization is briefly reviewed.

Schermann, J.↗
DOE OSTI2021

CO2 Capture Strategies via Mineralization with Industrial Waste Brines

Large coal-fired power plants (>500 MW) account for 30% of global CO2 emissions, and long-term management of this CO2 to is urgently needed mitigate global temperature increases. Sequestration of CO2 within stable mineral carbonates (e.g., CaCO3) represents an attractive emission reduction strategy because it offers a leakage-free alternative to geological storage of CO2 in an environmentally friendly form. We have previously described a mineralization process in which divalent cations are sourced from various waste streams (e.g., produced water and brackish water) and alkalinity is induced via regenerable ion-exchange materials (Bustillos et. al. Frontiers in Energy Research. 2020, 8, 352). In our process, aqueous carbonate-bearing streams with pH > 8 are produced by contacting fresh water and carbon dioxide with various ion-exchange materials (e.g., Na form zeolites or ion exchange resins). These streams are mixed with produced water containing varying concentrations (~0.01 – 1.0 M) of Ca2+ leading to the precipitation of solid calcium carbonate (PCC). This process has the advantages of using regenerable solids in a simple and continuous process to increase the pH of water by ion exchange instead of relying on the consumption of costly and unsustainable sources of alkalinity (e.g., sodium hydroxide). While once-through column experiments showed the above benefits, the same were yet to established in a steady-state process with recycle streams. In this work, we set up a process simulation to quantify the energy requirements and CO2 emissions associated with the process and seek optimal produced water compositions and CO2 concentrations (5 – 20 vol%). The process simulation was set up in ASPEN Plus using eRNTL as the thermodynamic property method and sequential modular strategy. Ion exchange alkaline solution was simulated using sodium hydroxide and validated against the experimental data obtained from once-through kinetic experiments. Nanofiltration and reverse osmosis membrane steps were also implemented for the separation of divalent cations and production of fresh water and a regeneration stream following mineralization. Sensitivity analysis was carried out using a range of produced water compositions (0.01 – 1.0 M Ca2+, 0.001 – 0.15 M Mg2+, 0.5 – 3.5 M Na+ and 0.0004 – 0.002 M Fe2+) according to the United States Geological Survey (USGS) database. Calcium carbonate yields increased with increasing CO2 concentrations and were maximized using produced water compositions with larger Ca2+ concentrations. Maximum calcium carbonate yields produced at 5 vol%, 12 vol% and 20 vol% CO2 were 2.3 mmol/L, 5.5 mmol/L, and 9.3 mmol/L, respectively, with the formation of brucite (a magnesium hydroxide phase, Mg(OH)2) and goethite (an iron hydroxide phase, FeOOH) as the primary contaminant phases (99% calcite, 0.6% brucite, 0.4% goethite), which agree with phases detected by XRD experimentally. These results indicate high purity calcium carbonate can be precipitated using industrial waste streams. Consequentially, energy consumption and net CO2 emissions were minimized where precipitated calcium carbonate was maximized for all produced water compositions and CO2 concentrations. Minimum energy consumptions were 0.21 kWh/ton CO2 processed, with 98% of the energy input required coming from the membrane filtration steps. Produced water compositions with large Na+ concentrations (> 0.5 M) were effective at reducing energy consumptions due to faster regeneration time of ion exchange materials. Additionally, calculated net CO2 emissions were negative for the process and ranged from -0.02 kg/ton CO2 to -0.15 kg/ton CO2 processed, indicating a low emission process. We will also present techno-economic assessment showing the economic benefits of the current process as an alternative to the addition of stoichiometric bases to induce alkalinity for the precipitation of CaCO3.

Simonetti, Dante↗
NASA NTRS1998

Polymerization on the rocks: theoretical introduction

It is difficult if not impossible to synthesize long polymers of amino acids, nucleotides, etc., in homogeneous aqueous solution. We suggest that long polymers were synthesized on the surface of minerals in a prebiotic process analogous to solid-phase synthesis. Provided that the affinity of a mineral for an oligomer increases with the length of the oligomer, adsorption must become essentially irreversible for sufficiently long oligomers. Irreversibly adsorbed oligomers may be elongated indefinitely by repeated cycles in which the mineral with its adsorbed oligomers is first incubated with activated monomers and then washed free of deactivated monomer and side-products. We discuss in some detail the formation of oligomers of negatively-charged amino acids such as glutamic acid on anion-exchange minerals such as hydroxylapatite or illite. We show that the average length of adsorbed oligomers at steady state, n, depends on the balance between the rate of chain elongation and the rate of hydrolysis, and we derive a very approximate formula for n.

NASA Discipline Exobiology↗
DOE OSTI2022

Atomically precise control of rotational dynamics in charged rare-earth complexes on a metal surface

Abstract Complexes containing rare-earth ions attract great attention for their technological applications ranging from spintronic devices to quantum information science. While charged rare-earth coordination complexes are ubiquitous in solution, they are challenging to form on materials surfaces that would allow investigations for potential solid-state applications. Here we report formation and atomically precise manipulation of rare-earth complexes on a gold surface. Although they are composed of multiple units held together by electrostatic interactions, the entire complex rotates as a single unit when electrical energy is supplied from a scanning tunneling microscope tip. Despite the hexagonal symmetry of the gold surface, a counterion at the side of the complex guides precise three-fold rotations and 100% control of their rotational directions is achieved using a negative electric field from the scanning probe tip. This work demonstrates that counterions can be used to control dynamics of rare-earth complexes on materials surfaces for quantum and nanomechanical applications.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Mitigation of Biofouling in Plant Watering Systems Using AgXX, a Novel Surface Treatment

The development of plant growth systems with high yields and low maintenance for food production is a key focus area for NASA. One of the remaining technical challenges is keeping the plant watering systems clean without affecting plant growth, requiring consumables, or demanding crew time. Plant watering systems, such as the one onboard the International Space Station (ISS), provide a nutrient rich environment for biofilm formation. Frequent maintenance is necessary to prevent biofouling, which currently requires crew time and a mechanical means of cleaning. Better solutions are needed. The current ISS practices for biofilm mitigation in the water recovery and distribution system include the use of biocides (silver ion or iodine) along with regular maintenance (e.g. flushing, filter replacement). These biocide-based strategies could be problematic for plant watering systems, such as in Ohalo, the Exploration Garden, and the APH, due to incompatibilities of the biocides with plants. We propose the application of AgXX, a novel antifouling surface treatment that meets the above requirements. This paper will report on an initial study that was completed to determine whether AgXX would be effective in a plant nutrient solution, and whether it would negatively impact plant growth in a hydroponics-type system.

Tesia D. Irwin↗
DOE OSTI2026

Toward the origins of binding energy shifts and “satellites” formation during plasma-XPS measurements

In-plasma x-ray photoelectron spectroscopy (plasma-XPS) emerges as a powerful platform for real-time, in situ chemical analysis under conditions relevant to semiconductor processing and other plasma-enabled technologies. This study investigates the origins of binding energy (BE) shifts and the formation of “satellite” peaks observed during plasma-XPS measurements across conductive, dielectric, and gas-phase systems. Using a standard laboratory-based ambient pressure XPS apparatus coupled with an alternating current (AC)-driven capacitively coupled plasma source, we demonstrate that metastable surface species, such as transient Au oxides, can be detected during plasma exposure, revealing chemical states that are hardly accessible using conventional ultrahigh vacuum (UHV) XPS. In dielectric samples (e.g., undoped diamond, sapphire), we observe pressure- and plasma-type-dependent BE shifts of more than 50 eV, attributed to x-ray-induced and plasma-mediated surface charging. These shifts are mitigated at higher pressures/plasmas or in electronegative plasmas (e.g., O 2 ), the latter due to enhanced charge compensation mechanisms involving slow negative ions. For gas-phase species, AC-plasma excitation leads to spectral broadening and the emergence of “satellite” peaks with energy separations of a few electron volts, linked to oscillating local plasma potentials in the probing volume. Furthermore, these findings highlight the complex and important interplay between plasma parameters, surface charging, and local electric fields in shaping XPS spectra. Overall, plasma-XPS emerges as a critical metrological tool for probing transient surface chemistry, with implications for semiconductor processing, material synthesis, and plasma diagnostics.

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

Dynamic Structure and Phase Behavior of a Block Copolymer Electrolyte under dc Polarization

There is an important consideration when designing lithium battery electrolytes for advanced applications is how the electrolyte facilitates ion transport at fast charge and discharge rates. Large current densities are accompanied by large salt concentration gradients across the electrolyte. Nanostructured composite electrolytes have been proposed to enable the use of high energy density lithium metal anodes, but many questions about the interplay between the electrolyte morphology and the salt concentration gradient that forms under dc polarization remain unanswered. To address these questions, we use an in situ small-angle X-ray scattering technique to examine the nanostructure of a polystyrene- block -poly(ethylene oxide) copolymer electrolyte under dc polarization with spatial and temporal resolution. In the quiescent state, the electrolyte exhibits a lamellar morphology. The passage of ionic current in a lithium symmetric cell leads to the formation of concurrent phases: a disordered morphology near the negative electrode, lamellae in the center of the cell, and coexisting lamellae and gyroid near the positive electrode. The most surprising result of this study was obtained after the applied electric field was turned off: a current-induced gyroid phase grows in volume for 6 h in spite of the absence of an obvious driving force. We show that this reflects the formation of localized pockets of salt-dense electrolyte, termed concentration hotspots, under dc polarization. Our methods may be applied to understand the dynamic structure of composite electrolytes at appreciable current densities.

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

Probing specific ion effects at air-aqueous dibutyl phosphate interfaces using vibrational sum frequency generation spectroscopy

Molecular properties at air–liquid and liquid–liquid interface hold the key to many processes involving molecular transport across phase boundaries from aerosol formation to carbon cycling and material separation using solvent extraction techniques. Using dibutyl phosphate (DBP) as a representative for partially aqueous soluble surfactants, the specific ion effect (SIE) of the Hofmeister series cations Cs + , Na + , Li + , and Mg 2+ on the partition and interaction between surfactant molecules and water molecules in the air–aqueous interface are investigated using vibrational sum frequency generation spectroscopy and surface tension measurements. In the presence of 1 mM and 1M bulk aqueous phase ionic strength salt concentrations, fundamental qualitative relationships are observed for the salting out of DBP relative to bulk aqueous phase nitrate salt concentrations and the specific cations species. At 1 mM ionic strength, the interfacial charge and hence the interfacial potential modulates the electrostatic interactions; in particular, the counter cations partially screen the negatively charged interface induced by the DBP in a direct Hofmeister order. At 1M ionic strength, the electric field at the interface or interfacial potential is effectively neutralized, and the counter cations promote the partitioning of DBP to the interface depending on their specific interaction with the DBP head group and metal ion hydration properties. The present results lay a foundation to study SIEs of heavier metals on hydrophobic-aqueous DBP interfaces.

Louie, Christina [Washington State University, Pul↗
NASA NTRS2004

Precise Laboratory Measurement of LINR Frequencies Useful to Studies of Star and Planet Formation

In March 2002, we began a program in laboratory spectroscopy to provide accurate molecular line frequencies essential to studies of the motions and abundances in star-froming dense cores and planet-forming circumstellar disks. The CN radical is one of the most important tracers of dynamical motions in protoplanetary disks around low mass pre-main sequence stars. The millimeter-wave spectrum of CN consists of rotational transitions every 113 GHz which are split into many resolved hyperfine components. Very narrow and fairly bright lines of SiO in the ground vibrational state have been observed in regions where protostellar outflows interact with the cold ambient gas. In support of future astronomical observations in these regions, 10 successive rotational lines in the ground vibrational state of Si0 between 86 and 500 GHz, and two lines near 800 GHz were measured in the laboratory to an accuracy of a few kHz. A negative glow discharge spectrometer that will allow the determination of accurate line frequencies of molecular ions has been constructed. We are presently modifying the method for cooling the magnetic field enhanced (negative glow) discharge cell to 77 K.

Myers, Philip C.↗
NASA NTRSDate not supplied

Preliminary Testing of Electrolytic Silver Ion Generation for Spacecraft Potable Water Systems

Anodic dissolution of silver electrodes, or “silver electrolysis,” is being investigated as a means of imparting biocidal silver into potable water on exploration spacecraft. This method of water disinfection is used commercially in hospitals and marine vessels, but the spacecraft application poses unique challenges such as low water conductivity, increased importance of electrode longevity, and an interface with other systems that may be sensitive to any particles released in the electrolysis process. Testing has shown that due to the low conductivity of the water, the electroactive area of the cell can be scaled linearly to achieve a target electrolysis current despite the general non-linearity of electrochemical systems. More importantly, however, the low conductivity dictates that a large electroactive area and minimal electrode gap be employed in the design. Furthermore, thermodynamic considerations suggest that a low applied voltage is necessary to avoid undesired electrode reactions that could negatively impact long-term performance. Preliminary testing of long-term electrode health suggests that anodic oxide formation may not present as significant a challenge as anticipated; however, further testing in a system closed to the atmosphere is required to rule out the influence of atmospheric CO2 on the pH of the process water. Comparison of filtered and unfiltered silver concentration measurements indicates that release of particles larger than 0.2 μm was negligible in this preliminary test. A test article has been developed to facilitate further testing of silver electrolysis, which continues to be a candidate technology for spacecraft potable water disinfection.

silver↗
DOE OSTI2022

Microbial Communities Influence Soil Dissolved Organic Carbon Concentration by Altering Metabolite Composition

Rapid microbial growth in the early phase of plant litter decomposition is viewed as an important component of soil organic matter (SOM) formation. However, the microbial taxa and chemical substrates that correlate with carbon storage are not well resolved. The complexity of microbial communities and diverse substrate chemistries that occur in natural soils make it difficult to identify links between community membership and decomposition processes in the soil environment. To identify potential relationships between microbes, soil organic matter, and their impact on carbon storage, we used sand microcosms to control for external environmental factors such as changes in temperature and moisture as well as the variability in available carbon that exist in soil cores. Using Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) on microcosm samples from early phase litter decomposition, we found that protein- and tannin-like compounds exhibited the strongest correlation to dissolved organic carbon (DOC) concentration. Proteins correlated positively with DOC concentration, while tannins correlated negatively with DOC. Through random forest, neural network, and indicator species analyses, we identified 42 bacterial and 9 fungal taxa associated with DOC concentration. The majority of bacterial taxa (26 out of 42 taxa) belonged to the phylum Proteobacteria while all fungal taxa belonged to the phylum Ascomycota. Additionally, we identified significant connections between microorganisms and protein-like compounds and found that most taxa (12/14) correlated negatively with proteins indicating that microbial consumption of proteins is likely a significant driver of DOC concentration. This research links DOC concentration with microbial production and/or decomposition of specific metabolites to improve our understanding of microbial metabolism and carbon persistence.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Hydrogen Bonds and H 3 O + Formation at the Water Interface with Formic Acid Covered Anatase TiO 2

Carboxylic acid-modified TiO 2 surfaces in aqueous environment are of widespread interest, yet atomic-scale understanding of their structure is limited. In this work, we investigate formic acid (FA) on anatase TiO 2 (101) (A-101) in contact with water using density functional theory (DFT) and ab-initio molecular dynamics (AIMD). Isolated FA molecules adsorbed in a deprotonated bridging bidentate (BD) form on A-101 are found to remain stable at the interface with water, with the acid proton transferred to a surface oxygen to form a surface bridging hydroxyl (O br H). With increasing FA coverage, adsorbed monolayers of only BD and successively of alternating monodentate (MD) and BD species give rise to a higher concentration of surface O br H’s. Simulations of these adsorbed monolayers in water environment show that some protons are released from the surface O br H’s to water resulting in a negatively charged surface with nearby solvated H 3 O + ions. These results provide insight into the complex acid-base equilibrium between an oxide surface, adsorbates and water and can also help obtain a better understanding of the wetting properties of chemically modified TiO 2 surfaces.

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

Valuation of Anode Materials for High-Performance Lithium Batteries: From Graphite to Lithium Metal and Beyond

Lithium-ion batteries have revolutionized energy storage, yet advanced technologies such as electric vehicles and eVTOLs demand even higher performance and safety. Anodes, the negative electrodes, are crucial in enhancing batteries’ safety, lifespan, and fast-charging capabilities. This review paper comprehensively evaluates the progression of anode materials from traditional graphite to advanced anodes like lithium metal. Graphite anodes, with a capacity of 372 mAh g −1 , enabled the first commercial lithium-ion batteries, but future applications require higher energy densities and fast-charging capabilities. Emerging anode materials, including alloying, and conversion types, as well as lithium metal, offer significantly higher capacities, with lithium metal offering a theoretical capacity of 3 860 mAh g −1 . However, these advanced anodes face challenges such as volume expansion, high surface reactivity, sluggish Li+ kinetics, and unstable lithium deposition morphologies. Here, this review critically examines the electrochemical performance, interfacial properties, mechanical attributes, and stability issues of various anode materials. It further discusses solid electrolyte interphase (SEI) formation, strategies for enhancing interface stability, and the requirements of anodes for solid-state batteries. Additionally, the review explores potential solutions for limitations with each anode type, highlights innovative anode-free architectures, and evaluates the current and future trends of battery anode industries. Ultimately, this paper aims to guide the development of high-performance anode materials, paving the way for the next generation of efficient, reliable lithium batteries.

Alloying anodes↗
DOE OSTI2021

Antiphase boundary migration as a diffusion mechanism in a P3 sodium layered oxide

The electrode materials of Na-ion batteries must exhibit fast ion transport, a property that is often negatively impacted when mobile cations order. Many layered Na (and K) intercalation compounds adopt the P3 crystal structure, which tends to stabilize cation-vacancy orderings over a wide range of Na concentrations. The ordered phases have been predicted to consist of domains that are periodically separated by antiphase boundaries (APBs) to accommodate variations in Na concentration. The mechanisms and rates with which Na diffuses within such ordered phases of P3 are not understood. We have conducted a first-principles study of Na diffusion in the P3 structure, using Na x CoO 2 as a model system. We find that most simple nearest-neighbor hops in Na-vacancy ordered phases in P3 result in unstable configurations and are therefore forbidden. We identify an alternative mechanism of Na transport that is mediated by APB migration via the formation and expansion of kinks along domain boundaries. The limiting kinetic barriers for this mechanism are quite low (0.03 to 0.30 eV). Vacancy defects are not required, and furthermore have formation energies that are higher than those of the APB kink defects. Furthermore, our results suggest that APB migration is a fundamental diffusion mechanism in the P3 structure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The effect of plasma shaping on high density H-mode SOL profiles and fluctuations in TCV

Abstract The impact of plasma shaping on the properties of high density H-mode scrape-off layer (SOL) profiles and transport at the outer midplane has been investigated on Tokamakà configuration variable. The experimental dataset has been acquired by evolving the upper triangularity while keeping the other parameters constant. The scan comprises δ u p values between 0.0 and 0.6, excluding negative triangularity scenarios. Within this study, a transition from type-I edge localised modes to the quasi-continuous exhaust regime takes place from low to high δ u p . The modification of the upstream SOL profiles has been assessed, in terms of separatrix quantities, within the α t turbulence control parameter theoretical framework (Eich et al 2020 Nucl. Fusion 60 056016). The target parallel heat load and the upstream near-SOL density profiles have been shown to broaden significantly for increasing α t . Correspondingly, in the far SOL a density shoulder formation is observed when moving from low to high δ u p . These behaviours have been correlated with an enhancement of the SOL fluctuation level, as registered by wall-mounted Langmuir probes as well as the thermal helium beam diagnostic. Specifically, both the background and the filamentary-induced fluctuating parts of the first wall ion saturation current signal are larger at higher δ u p , with filaments being ejected more frequently into the SOL. Comparison of two pulses at the extremes of the δ u p scan range, but with otherwise same input parameters, shows that the midplane neutral pressure does not change much during the H-mode phase of the discharge. This indicates that indirect effects of the change in geometry, linked to first wall recycling sources, should not play a significant role. The total core radiation increases at high δ u p , on account of a stronger plasma–wall interaction and resulting larger carbon impurity intake from the first wall. This is likely associated to the enhanced first wall fluctuations, as well as a smaller outer gap and the close-to-double-null magnetic topology at high shaping.

Stagni, A. (ORCID:0000000180841544)↗
NASA NTRS2011

Anions in Cometary Comae

The presence of negative ions (anions) in cometary comae is known from Giotto mass spectrometry of IP/Halley. The anions 0-, OH-, C-, CH- and CN- have been detected, as well as unidentified anions with masses 22-65 and 85-110 amu (Chaizy et al. 1991). Organic molecular anions are known to have a significant impact on the charge balance of interstellar clouds and circumstellar envelopes and have been shown to act as catalysts for the gas-phase synthesis of larger hydrocarbon molecules in the ISM, but their importance in cometary comae has not yet been explored. We present details of the first attempt to model the chemistry of anions in cometary comae. Based on the combined chemical and hydro dynamical model of Rodgers & Charnley (2002), we investigate the role of large carbon-chain anions in cometary coma chemistry. We calculate the effects of these anions on coma thermodynamics, charge balance and examine their impact on molecule formation.

Charnley, Steven B.↗