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Interstellar Polycyclic Aromatic Compounds and Astrophysics

Polycyclic aromatic compounds (PACs), a class of organic molecules whose structures are characterized by the presence of two or more fused aromatic rings, have been the subject of astrophysical interest for nearly two decades. Large by interstellar standards (from as few as 20 to perhaps as many as several hundred atoms), it has been suggested that these species are among the most abundant interstellar molecules impacting a wide range of astrophysical phenomena including: the ubiquitous family of infrared emission bands observed in an ever-increasing assortment of astronomical objects; the subtle but rich array of discrete visible/near-infrared interstellar molecular absorption features known as the diffuse interstellar bands (DIBs); the broad near-infrared quasi-continuum observed in a number of nebulae known as excess red emission (ERE); the interstellar ultraviolet extinction curve and broad '2200 Angstrom bump'; the heating/cooling mechanisms of interstellar clouds. Nevertheless, until recently a lack of good-quality laboratory spectroscopic data on PACs under astrophysically relevant conditions (i.e. isolated, ionized molecules; ionized molecular clusters, etc.) has hindered critical evaluation and extension of this model

Hodgins, Douglas M.↗

NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species

This report documents the library of thermodynamic data used with the NASA Glenn computer program CEA (Chemical Equilibrium with Applications). This library, containing data for over 2000 solid, liquid, and gaseous chemical species for temperatures ranging from 200 to 20,000 K, is available for use with other computer codes as well. The data are expressed as least-squares coefficients to a seven-term functional form for C((sup o)(sub p)) (T) / R with integration constants for H (sup o) (T) / RT and S(sup o) (T) / R. The NASA Glenn computer program PAC (Properties and Coefficients) was used to calculate thermodynamic functions and to generate the least-squares coefficients. PAC input was taken from a variety of sources. A complete listing of the database is given along with a summary of thermodynamic properties at 0 and 298.15 K.

Bonnie J McBride↗

The Evolution of Gas in Protoplanetary Systems: The Herschel GASPS Open Time Key Programme

The Gas in Protoplanetary Systems (GASPS) Open Time Key Programme for the Herschel Space Observatory will be the first extensive, systematic survey of gas in circumstellar disks over the critical transition from gas-rich protoplanetary through to gas-poor debris. The brightest spectral lines from disks lie in the far-infrared and arise from radii spanning roughly 10 to 100 AU, where giant planets are expected to form. Herschel is uniquely able to observe this wavelength regime with the sensitivity to allow a large scale survey. We will execute a 2-phase study using the PACS instrument. Phase I is a spectroscopic survey about 250 young stars for fine structure emission lines of [CII] (at 157 microns) and [OI] (at 63 microns). In Phase II, the brightest sources will be followed up with additional PACS spectroscopy ([OI] at 145 microns and some rotational lines of water). We expect that the gas mass sensitivity will be more than an order of magnitude lower than that achieved by ISO and Spitzer or expected for SOFIA. We will also measure the dust continuum to an equivalent mass sensitivity. We will observe several nearby clusters with ages from 1 to 30 Myr, encompassing a wide range of disk masses and stellar luminosities. The sample covers disk evolution from protoplanetary disks through to young debris disks, i.e. the main epoch of planet formation. With this extensive dataset, the GASPS project will: 1) trace gas and dust in the planet formation region across a large multivariate parameter space, 2) provide the first definitive measurement of the gas dissipation timescale in disks, 3) elucidate the evolutionary link between protoplanetary and debris disks, 4) investigate water abundances in the planetforming regions of disks, and 5) provide a huge database of disk observations and models with long-lasting legacy value for follow-up studies.

Roberge, A.↗

The Herschel DUNES Open Time Key Programme

We will use the unique photometric capabilities provided by Herschel to perform a deep and systematic survey for faint, cold debris disks around nearby stars. Our sensitivity-limited Open Time Key Programme (OTKP) aims at finding and characterizing faint extrasolar analogues to the Edgeworth-Kuiper Belt (EKB) in an unbiased, statistically significant sample of nearby FGK main-sequence stars. Our target set spans a broad range of stellar ages (from 0.1 to 10 Gyr) and is volume-limited (distances < 20 pc). All stars with known extrasolar planets within this distance are included; additionally, some M- and A-type stars will be observed in collaboration with the Herschel DEBRIS OTKP, so that the entire sample covers a decade in stellar mass, from 0.2 to 2 solar masses. We will perform PACS and SPIRE photometric observations covering the wavelength range from 70 to 500 microns. The PACS observations at 100 microns have been designed to detect the stellar photospheres down to the confusion limit with a signal-to-noise ratio > 5. The observations in the other Herschel bands will allow us to characterize, model, and constrain the disks. As a result, it will be possible for us to reach fractional dust luminosities of a few times 10-7, close to the EKB level in the Solar System. This will provide an unprecedented lower limit to the fractional abundance of planetesimal systems and allow us to assess the presence of giant planets, which would play dynamical roles similar to those played by Jupiter and Neptune in the Solar System. The proposed observations will provide new and unique evidence for the presence of mature planetary systems in the solar neighbourhood and, in turn, will address the universality of planet/planetary system formation in disks around young stars.

Danchi, William C.↗

Herschel Discovery of a New class of Cold, Faint Debris Discs

We present Herschel PACS 100 and 160 micron observations of the solar-type stars alpha Men, HD 88230 and HD 210277, which form part of the FGK stars sample of the Herschel Open Time Key Programme (OTKP) DUNES (DUst around NEarby Stars). Our observations show small infrared excesses at 160 micron for all three stars. HD 210277 also shows a small excess at 100 micron. while the 100 micron fluxes of a Men and HD 88230 agree with the stellar photospheric predictions. We attribute these infrared excesses to a new class of cold, faint debris discs. alpha Men and HD 88230 are spatially resolved in the PACS 160 micron images, while HD 210277 is point-like at that wavelength. The projected linear sizes of the extended emission lie in the range from approximately 115 to <= 250 AU. The estimated black body temperatures from the 100 and 160 micron fluxes are approximately < 22 K, while the fractional luminosity of the cold dust is L(dust)/ L(star) approximates 10(exp -6), close to the luminosity of the Solar-System's Kuiper belt. These debris discs are the coldest and faintest discs discovered so far around mature stars and cannot easily be explained by invoking "classical" debris disc models.

Eiroa, C.↗

An Icy Kuiper-Belt Around the Young Solar-Type Star HD 181327

HD 181327 is a young Main Sequence F5/F6 V star belonging to the Beta Pictoris moving group (age approx 12 Myr). It harbors an optically thin belt of circumstellar material at approx90 AU, presumed to result from collisions in a populat.ion of unseen planetesimals. Aims. We aim to study the dust properties in the belt in great details, and to constrain the gas-to-dust ratio. Methods. We obtained far-IR photometric observations of HD 181327 with the PACS instrument onboard the Herschel Space Observatory, complemented by new 3.2 nun observations carried with the ATCA array. The geometry of the belt is constrained with newly reduced HST /NICMOS scattered light images that break the degeneracy between the disk geometry and the dust properties. We then use the radiative transfer code GRaTer to compute a large grid of dust models, and we apply a Bayesian inference method to identify the grain models that best reproduce the SED. We attempt to detect the oxygen and ionized carbon fine-structure lines with Herschel/PACS spectroscopy, providing observables to our photochemical code ProDiMo. Results. The HST observations confirm that the dust is confined in a narrow belt. The continuum is detected with Herschel/PACS completing nicely the SED in the far-infrared. The disk is marginally resolved with both PACS and ATCA. A medium integration of the gas spectral lines only provides upper limits on the [OI] and [CII] line fluxes. We show that the HD 181327 dust disk consists of micron-sized grains of porous amorphous silicates and carbonaceous material surrounded by an import.ant layer of ice for a total dust mass of approx 0.05 stellar Mass. We discuss evidences that the grains consists of fluffy aggregates. The upper limits on the gas atomic lines do not provide unambiguous constraints: only if the PAH abundance is high, the gas mass must be lower than approx 17 Stellar Mass Conclusions. Despite the weak constraints on the gas disk, the age of HD 181327 and the properties of the dust disk suggest that it has passed the stage of gaseous planets formation. The dust reveals a population of icy planetesimals, similar to the primitive Edgeworth-Kuiper Belt, that may be a source for the future delivery of water and volatiles onto forming terrestrial planets.

Lebreton, J.↗

Herschel Discovery of a New Class of Cold, Faint Debris Discs

We present Herschel PACS 100 and 160 micron observations of the solar-type stars alpha Men, HD 88230 and HD 210277, which form part of the FGK stars sample of the Herschel Open Time Key Programme (OTKP) DUNES (DUst around NEarby Stars). Our observations show small infrared excesses at 160 m for all three stars. HD 210277 also shows a small excess at 100 micron, while the 100 micron fluxes of alpha Men and HD 88230 agree with the stellar photospheric predictions. We attribute these infrared excesses to a new class of cold, faint debris discs. alpha Men and HD 88230 are spatially resolved in the PACS 160 m images, while HD 210277 is point-like at that wavelength. The projected linear sizes of the extended emission lie in the range from approx 115 to <= 250 AU. The estimated black body temperatures from the 100 and 160 micron fluxes are approx < 22 K, while the fractional luminosity of the cold dust is L(sub dust) / L(*) approx 10 (exp 6) close to the luminosity of the Solar-System's Kuiper belt. These debris discs are the coldest and faintest discs discovered so far around mature stars and cannot easily be explained by invoking "classical" debris disc models.

Eiroal, C.↗

An Icy Kuiper Belt Around the Young Solar-type Star HD 181327

Context. HD 181327 is a young main sequence F5/F6 V star belonging to the Beta Pictoris moving group (age approx.. 12 Myr). It harbors an optically thin belt of circumstellar material at radius approx.. 90 AU, presumed to result from collisions in a population of unseen planetesimals. Aims. We aim to study the dust properties in the belt in details, and to constrain the gas-to-dust ratio. Methods. We obtained far-infrared photometric observations of HD 181327 with the PACS instrument onboard the Herschel Space Observatory, complemented by new 3.2 mm observations carried with the ATCA array. The geometry of the belt is constrained with newly reduced HST/NICMOS scattered light images that allow the degeneracy between the disk geometry and the dust properties to be broken. We then use the radiative transfer code GRaTeR to compute a large grid of models, and we identify the grain models that best reproduce the spectral energy distribution (SED) through a Bayesian analysis. We attempt to detect the oxygen and ionized carbon fine-structure lines with Herschel/PACS spectroscopy, providing observables to our photochemical code ProDiMo. Results. The HST observations confirm that the dust is confined in a narrow belt. The continuum is detected with Herschel/PACS completing nicely the SED in the far-infrared. The disk is marginally resolved with both PACS and ATCA. A medium integration of the gas spectral lines only provides upper limits on the [OI] and [CII] line fluxes.We show that the HD 181327 dust disk consists of micron-sized grains of porous amorphous silicates and carbonaceous material surrounded by an important layer of ice, for a total dust mass of approx.. 0.05 Solar Mass (in grains up to 1 mm). We discuss evidences that the grains consists of fluffy aggregates. The upper limits on the gas atomic lines do not provide unambiguous constraints: only if the PAH abundance is high, the gas mass must be lower than approx. 17 Solar Mass. Conclusions. Despite the weak constraints on the gas disk, the age of HD 181327 and the properties of the dust disk suggest that it has passed the stage of gaseous planets formation. The dust reveals a population of icy planetesimals, similar to the primitive Edgeworth-Kuiper belt, that may be a source for the future delivery of water and volatiles onto forming terrestrial planets.

HD 181327↗

Modeling the HD 32297 Debris Disk With Far-Infrared Herschel Data

HD 32297 is a young A-star (approx. 30 Myr) 112 pc away with a bright edge-on debris disk that has been resolved in scattered light. We observed the HD 32297 debris disk in the far-infrared and sub-millimeter with the Herschel Space Observatory PACS and SPIRE instruments, populating the spectral energy distribution (SED) from 63 to 500 micron..We aimed to determine the composition of dust grains in the HD 32297 disk through SED modeling, using geometrical constraints from the resolved imaging to break the degeneracies inherent in SED modeling. We found the best fitting SED model has two components: an outer ring centered around 110 AU, seen in the scattered light images, and an inner disk near the habitable zone of the star. The outer disk appears to be composed of grains>2 micron consisting of silicates, carbonaceous material, and water ice with an abundance ratio of 1:2:3 respectively and 90% porosity. These grains appear consistent with cometary grains, implying the underlying planetesimal population is dominated by comet-like bodies. We also discuss the 3.7 sigma detection of [C ii] emission at 158 micron with the Herschel PACS instrument, making HD 32297 one of only a handful of debris disks with circumstellar gas detected

infrared: stars↗

The Herschel Multi-tiered Extragalactic Survey: HerMES

The Herschel Multi-tiered Extragalactic Survey, HerMES, is a legacy program designed to map a set of nested fields totalling approx. 380 deg(exp 2). Fields range in size from 0.01 to approx. 20 deg (exp 2), using Herschel-SPIRE (at 250, 350 and 500 micron), and Herschel-PACS (at 100 and 160 micron), with an additional wider component of 270 deg. (exp. 2) with SPIRE alone. These bands cover the peak of the redshifted thermal spectral energy distribution from interstellar dust and thus capture the re-processed optical and ultra-violet radiation from star formation that has been absorbed by dust, and are critical for forming a complete multi-wavelength understanding of galaxy formation and evolution. The survey will detect of order 100,000 galaxies at 5-sigma in some of the best studied fields in the sky. Additionally, HerMES is closely coordinated with the PACS Evolutionary Probe survey. Making maximum use of the full spectrum of ancillary data, from radio to X-ray wavelengths, it is designed to: facilitate redshift determination; rapidly identify unusual objects; and understand the relationships between thermal emission from dust and other processes. Scientific questions HerMES will be used to answer include: the total infrared emission of galaxies; the evolution of the luminosity function; the clustering properties of dusty galaxies; and the properties of populations of galaxies which lie below the confusion limit through lensing and statistical techniques. This paper defines the survey observations and data products, outlines the primary scientific goals of the HerMES team, and reviews some of the early results.

multi-tiered↗

The HERschel Inventory of the Agents of Galaxy Evolution in the Magellanic Clouds, a HERschel Open Time Key Program

We present an overview or the HERschel Inventory of The Agents of Galaxy Evolution (HERITAGE) in the Magellanic Clouds project, which is a Herschel Space Observatory open time key program. We mapped the Large Magellanic Cloud (LMC) and Small Magellanic Cloud (SMC) at 100, 160, 250, 350, and 500 micron with the Spectral and Photometric Imaging Receiver (SPIRE) and Photodetector Array Camera and Spectrometer (PACS) instruments on board Herschel using the SPIRE/PACS parallel mode. The overriding science goal of HERITAGE is to study the life cycle of matter as traced by dust in the LMC and SMC. The far-infrared and submillimeter emission is an effective tracer of the interstellar medium (ISM) dust, the most deeply embedded young stellar objects (YSOs), and the dust ejected by the most massive stars. We describe in detail the data processing, particularly for the PACS data, which required some custom steps because of the large angular extent of a single observational unit and overall the large amount of data to be processed as an ensemble. We report total global fluxes for LMC and SMC and demonstrate their agreement with measurements by prior missions. The HERITAGE maps of the LMC and SMC are dominated by the ISM dust emission and bear most resemblance to the tracers of ISM gas rather than the stellar content of the galaxies. We describe the point source extraction processing and the critetia used to establish a catalog for each waveband for the HERITAGE program. The 250 micron band is the most sensitive and the source catalogs for this band have approx. 25,000 objects for the LMC and approx. 5500 objects for the SMC. These data enable studies of ISM dust properties, submillimeter excess dust emission, dust-to-gas ratio, Class 0 YSO candidates, dusty massive evolved stars, supemova remnants (including SN1987A), H II regions, and dust evolution in the LMC and SMC. All images and catalogs are delivered to the Herschel Science Center as part of the conummity support aspects of the project. These HERITAGE images and catalogs provide an excellent basis for future research and follow up with other facilities.

AGENTS↗

Reevaluating Suitability Estimates Based on Dynamics of Cropland Expansion in the Brazilian Amazon

Agricultural suitability maps are a key input for land use zoning and projections of cropland expansion. Suitability assessments typically consider edaphic conditions, climate, crop characteristics, and sometimes incorporate accessibility to transportation and market infrastructure. However, correct weighting among these disparate factors is challenging, given rapid development of new crop varieties, irrigation, and road networks, as well as changing global demand for agricultural commodities. Here, we compared three independent assessments of cropland suitability to spatial and temporal dynamics of agricultural expansion in the Brazilian state of Mato Grosso during 2001 2012. We found that areas of recent cropland expansion identified using satellite data were generally designated as low to moderate suitability for rainfed crop production. Our analysis highlighted the abrupt nature of suitability boundaries, rather than smooth gradients of agricultural potential, with little additional cropland expansion beyond the extent of the flattest areas (0-2% slope). Satellite-based estimates of the interannual variability in the use of existing crop areas also provided an alternate means to assess suitability. On average, cropland areas in the Cerrado biome had higher utilization (84%) than croplands in the Amazon region of northern Mato Grosso (74%). Areas of more recent expansion had lower utilization than croplands established before 2002, providing empirical evidence for lower suitability or alternative management strategies (e.g., pasture soya rotations) for lands undergoing more recent land use transitions. This unplanted reserve constitutes a large area of potentially available cropland (PAC)without further expansion, within the management limits imposed for pest management and fallow cycles. Using two key constraints on future cropland expansion, slope and restrictions on further deforestation of Amazon or Cerrado vegetation, we found little available flat land for further legal expansion of crop production in Mato Grosso. Dynamics of cropland expansion from more than a decade of satellite observations indicated narrow ranges of suitability criteria, restricting PAC under current policy conditions, and emphasizing the advantages of field-scale information to assess suitability and utilization.

Morton, Douglas C.↗

Transforming any Facility for Meeting Strict Cleanliness Requirements

Over the life of the James Webb Space Telescope (JWST), Integration & Test (I&T) has taken place in areas that needed considerable work to make the facility itself and/or the protocols used while working in the rooms suitable to meet JWST percent area coverage (PAC) and molecular accumulation requirements. In addition to normal particulate matter, JWST had a uniquely significant challenge: fibers! Fibers not only cause much higher PAC levels, but they also risk damaging the angstrom sized Near Infrared Spectrometer (NIRSpec) microshutter array (MSA), which is critical to NIRSpec instrument performance. The primary emphasis of this paper is to address particulate and fiber contamination. The success of the JWST mission required effective cleanrooms, protocols, and mitigations in non-cleanroom areas that were pressed into service to house contamination-sensitive optics and scientific instruments. Some presented profound challenges. These included: NASA’s 60-year-old Johnson Space Center (JSC) Chamber A, which had never been used for anything contamination-sensitive, and the European tropical launch facilities, which were designed to meet International Standard Organization (ISO) Class 8 processing for communication satellites. The final challenge for JWST, as if to stare us in the face and say, “I dare you to try and make me clean enough,” was preparing the 4 areas in the Centre Spatial Guyanais (CSG) Final Assembly Building (BAF) located in French Guiana, a building in which one entire side opens for Ariane 5 rocket ingress and egress. This paper will describe our initial evaluation processes and the actual work undertaken to transform even the most challenging areas into first class cleanrooms that met JWST particulate and fiber requirements.

James Webb Space Telescope↗

Investigation of Bipropellant Plume-Induced Contamination Effects on Coverglass Materials

Contamination and degradation of external spacecraft materials by unburned and partially combusted species from bipropellant thruster plumes has long been observed as a key component of the induced space environment. Space shuttle flight experiments and returned flight hardware from the International Space Station (ISS) have both experienced microscopic impact features induced by high-velocity thruster plume droplets. Analytical results have shown that droplet impingement angle relative to a receiving surface plays a key role in the surface damage. Although impacts with normal impingement angles contribute more severely to surface degradation than highly oblique angles, surface effects at higher impingement angles should not be dismissed. Thruster plume-induced materials degradation is a complex phenomenon that depends on a variety of parameters, including but not limited to material type, system temperature and pressure, plume composition, and thruster firing specifications such as number of pulses, pulse duration, and sample distance from the thruster. For space applications, attaining the vacuum pressure and temperature conditions necessary for flight-like plume expansion and exposure conditions is not a trivial task. The German Aerospace Center (Deutsches Zentrum für Luft- und Raumfahrt, DLR) is a facility uniquely capable of simulating such conditions. Test coupons were exposed to bipropellant thruster firings under high vacuum at the DLR facility. Percent area coverage (PAC) and droplet size distributions were evaluated for the uncoated and coated solar array coverglass materials over a range of impingement angles (0̊ to 75̊). A post-test imaging workflow was developed that aimed to quantify changes in sample surface morphology obtained from scanning electron microscopy (SEM) images using the Image Processing and Analysis in Java (ImageJ) tool; an opensource image processing software. The goal was to create a framework through which to evaluate the effect of bipropellant-induced PAC and droplet size distribution on solar array coverglass optical transmission losses. Understanding this relationship is important because optical transmission losses are known to lead to current reduction in solar power generation systems. In addition to the development of surface characterization workflows, valuable lessons learned as they pertain to future investigations and experiments will be discussed. The authors hope that sharing these lessons will facilitate more utilization of DLR’s unique capabilities as well as open the conversation for how best to address experimental characterization of flight-like plume expansion and its impacts on materials surface degradation effects.

Gateway↗

How Dusty Is Alpha Centauri? Excess or Non-excess over the Infrared Photospheres of Main-sequence Stars

Context. Debris discs around main-sequence stars indicate the presence of larger rocky bodies. The components of the nearby, solar-type binary Centauri have metallicities that are higher than solar, which is thought to promote giant planet formation. Aims. We aim to determine the level of emission from debris around the stars in the Cen system. This requires knowledge of their photospheres.Having already detected the temperature minimum, Tmin, of CenA at far-infrared wavelengths, we here attempt to do the same for the moreactive companion Cen B. Using the Cen stars as templates, we study the possible eects that Tmin may have on the detectability of unresolveddust discs around other stars. Methods.We used Herschel-PACS, Herschel-SPIRE, and APEX-LABOCA photometry to determine the stellar spectral energy distributions in thefar infrared and submillimetre. In addition, we used APEX-SHeFI observations for spectral line mapping to study the complex background around Cen seen in the photometric images. Models of stellar atmospheres and of particulate discs, based on particle simulations and in conjunctionwith radiative transfer calculations, were used to estimate the amount of debris around these stars. Results. For solar-type stars more distant than Cen, a fractional dust luminosity fd LdustLstar 2 107 could account for SEDs that do not exhibit the Tmin eect. This is comparable to estimates of fd for the Edgeworth-Kuiper belt of the solar system. In contrast to the far infrared,slight excesses at the 2:5 level are observed at 24 m for both CenA and B, which, if interpreted as due to zodiacal-type dust emission, wouldcorrespond to fd (13) 105, i.e. some 102 times that of the local zodiacal cloud. Assuming simple power-law size distributions of the dustgrains, dynamical disc modelling leads to rough mass estimates of the putative Zodi belts around the Cen stars, viz.4106 M$ of 4 to 1000 msize grains, distributed according to n(a) a3:5. Similarly, for filled-in Tmin emission, corresponding Edgeworth-Kuiper belts could account for103 M$ of dust. Conclusions. Our far-infrared observations lead to estimates of upper limits to the amount of circumstellar dust around the stars CenA and B.Light scattered andor thermally emitted by exo-Zodi discs will have profound implications for future spectroscopic missions designed to searchfor biomarkers in the atmospheres of Earth-like planets. The far-infrared spectral energy distribution of Cen B is marginally consistent with thepresence of a minimum temperature region in the upper atmosphere of the star. We also show that an Cen A-like temperature minimum mayresult in an erroneous apprehension about the presence of dust around other, more distant stars.

metallicities↗

Formation of phenanthrene via H–assisted isomerization of 2–ethynylbiphenyl produced in the reaction of phenyl with phenylacetylene

Model chemistry G3(MP2,CC)//B3LYP/6–311G(d,p) calculations of the potential energy surface for the reaction of phenyl radical (C 6 H 5 ) with phenylacetylene (C 8 H 6 ) have been carried out and combined with Rice–Ramsperger–Kassel–Marcus/Master Equation calculations of temperature– and pressure–dependent rate constants. The results showed that the reaction can serve as a viable source for the formation of phenanthrene via an indirect route involving a primary reaction of phenyl addition to the ortho carbon in the ring of phenylacetylene and H elimination producing 2–ethynylbiphenyl followed by secondary H–assisted isomerization of 2–ethynylbiphenyl to phenanthrene. In the secondary reaction, the H atom adds to the α carbon of the ethynyl side chain, then a six–member ring closure takes place followed by aromatization via an H loss. The channel of H addition to the side chain of 2–ethynylbiphenyl appears to be much faster than H addition to the ortho carbon in the ethynyl–substituted ring leading back to the initial C 6 H 5 + C 8 H 6 reactants. Rate constants for the primary C 6 H 5 + C 8 H 6 ⇌2–ethynylbiphenyl (p1) + H and secondary p1 + H⇌phenanthrene (p2) + H reactions have been computed in the temperature range of 500–2500 K at pressures of 30 Torr, 1, 10, and 100 atm and fitted to modified Arrhenius expressions. Here, the suggested kinetic scheme and rate constants are proposed as a prototype for the modeling of the growth of polycyclic aromatic hydrocarbons via the phenyl addition–dehydrocyclization (PAC) mechanism involving an addition of a PAH radical to an ethynyl–substituted PAH molecule.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A hybrid architecture for volt-var control in active distribution grids

Modern active distribution grids are characterized by the increasing penetration of distributed energy resources (DERs). The proper coordination and scheduling of a large numbers of these small-scale and spatially distributed DERs is necessary, and warrants the use of novel distributed approaches. In this paper, we propose a hybrid volt-var control architecture for the distribution grid, which leverages existing centralized and local approaches to planning, decision making, and control, and augments it with distributed optimization and distributed control for DER management. First, we propose a convex model to describe the power physics of distribution grids of meshed topology and unbalanced structure, based on current injection and McCormick Envelopes. Second, we employ the distributed proximal atomic coordination (PAC) algorithm to coordinate DERs to provide voltage support. We implement volt-var optimization by optimally coordinating DERs including PV smart inverters and demand response. We present results using the IEEE-34 bus network, using real data from a distribution feeder in Hawaii, to model load and PV generation. Different levels of DER penetration and objective functions are simulated. Finally, our results show the need for the coordination of DERs to improve voltage profiles, even in networks with existing voltage control devices. Further, we show the need for flexible reactive power capabilities to achieve desired grid performance.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge

In this work, we present the results of two-dimensional modeling of the effects of non-equilibrium excitation and electrode geometry on H 2 /air ignition in a nanosecond plasma discharge. A multiscale adaptive reduced chemistry solver for plasma assisted combustion (MARCS-PAC) based on PASSKEy discharge modeling package and compressible multi-component reactive flow solver ASURF+ is developed and validated. This model is applied to simulate the impact of non-equilibrium plasma excitation and electrode geometry and heat loss on the dynamics of the discharge from streamer to spark and ignition kernel development in a H 2 /air mixture with a pair of cylindrical electrodes. The results show that the plasmagenerated species (N 2 (A), N 2 (B), N 2 (a'), N 2 (C), O( 1 D), O and H) in the spark and afterglow significantly accelerate the ignition kernel development. The increase of discharge voltage at the same total discharge energy promotes the non-equilibrium active species production. It is found that the production of electronically excited species at higher reduced electric field strength is more efficient in enhancing ignition in comparison to the vibrational excitation and heating. Moreover, the 2D simulation clearly reveals that the electric field and active species distribution are highly non-uniform. The streamers are initiated at the sharp outer edges of the negative and positive electrodes by a strong electric field while the electric field is much weaker at the centerline of the electrodes. Furthermore, the simulations reveal that the ignition enhancement is sensitive to the variation of electrode shape, diameter, and gap size due to the changes of electric field distribution and location of streamer formation. A cylindrical electrode produces a larger discharge volume and ignition kernel than the parabolic and spherical electrodes, when the discharge is localized near the axis of the gap. It is found that there is a non-monotonic dependence of ignition kernel size on the electrode diameter and inter-electrode distance. The increase of electrode diameter and gap size above the optimal conditions leads to the reduction of ignition kernel volume, due to the decrease of active species concentration and gas temperature. At a larger electrode surface area and electrode diameter as well as smaller electrode gap size, the heat loss to electrode plays a greater role in reducing the ignition kernel size and slowing ignition kernel development. This work provides insights and guidance to understand the kinetic enhancement of non-equilibrium plasma and the effects of electrode geometries on ignition for the optimization ignitors in advanced engines.

42 ENGINEERING↗