arXiv subjects

Karen Willacy

Publications and source records attributed to Karen Willacy.

36 records · Page 2Linked to original sources

arXiv2018

Ionization-Driven Depletion and Redistribution of CO in Protoplanetary Disks

Based on the interstellar CO/H2 ratio, carbon monoxide-based censuses of protoplanetary disks in Lupus, sigma Orionis, and Chamaeleon I found no disks more massive than the minimum-mass solar nebula, which is inconsistent with the existence of exoplanets more massive than Jupiter. Observations and models are converging on the idea that ionization-driven chemistry depletes carbon monoxide in T-Tauri disks. Yet the extent of CO depletion depends on the incident flux of ionizing radiation, and some T-Tauri stars may have winds strong enough to shield their disks from cosmic rays. There is also a range of X-ray luminosities possible for a given stellar mass. Here we use a suite of chemical models, each with a different incident X-ray or cosmic-ray flux, to assess whether CO depletion is a typical outcome for T-Tauri disks. We find that CO dissociation in the outer disk is a robust result for realistic ionization rates, with abundance reductions between 70% and 99.99% over 2 Myr of evolution. Furthermore, after the initial dissociation epoch, the inner disk shows some recovery of the CO abundance from CO2 dissociation. In highly ionized disks, CO recovery in the inner disk combined with depletion in the outer disk creates a centrally peaked CO abundance distribution. The emitting area in rare CO isotopologues may be an indirect ionization indicator: in a cluster of disks with similar ages, those with the most compact CO isotopologue emission see the highest ionization rates.

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arXiv2018

Buildup of Abiotic Oxygen and Ozone in Moist Atmospheres of Temperate Terrestrial Exoplanets and its Impact on the Spectral Fingerprint in Transit Observations

We investigate the abiotic production of oxygen and its photochemical byproduct ozone through water vapor photolysis in moist atmospheres of temperate terrestrial exoplanets. The amount of water vapor available for photolysis in the middle atmosphere of a planet can be limited by an atmospheric cold-trap, the formation of which largely depends on the amount of non-condensable gases. We study this effect using a photochemical model coupled to a 1D radiative-convective equilibrium model in atmospheres with N2, CO2 and H2O as the main constituents. We find that in atmospheres with a low N2 inventory, water vapor mixing ratios in the middle atmosphere can be over two orders of magnitude higher compared to atmospheres with an Earth-like N2 inventory. Without a strong surface sink, the non-condensable oxygen can build up rapidly, drying out the upper atmosphere. With a moderate surface sink, the planet can approach a steady state with significant oxygen mixing ratios in which oxygen production is balanced by surface uptake. We use a radiative transfer model to study the spectroscopic fingerprint of these atmospheres in transit observations. Spectral signatures of abiotic oxygen and ozone can be of comparable magnitude as in spectra of Earth seen as an exoplanet. Middle atmospheric water vapor is unlikely to be a usable indicator of the abiotic origin of oxygen because of the influence of oxygen on the water vapor distribution. This suggests that atmospheric oxygen and ozone cannot be used as binary bioindicators and their interpretation will likely require atmospheric and planetary models.

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arXiv2018

Detection of HOCO+ in the protostar IRAS 16293-2422

The protonated form of CO2, HOCO+, is assumed to be an indirect tracer of CO2 in the millimeter/submillimeter regime since CO2 lacks a permanent dipole moment. Here, we report the detection of two rotational emission lines (4 0,4-3 0,3) and (5 0,5-4 0,4) of HOCO+ in IRAS 16293-2422. For our observations, we have used EMIR heterodyne 3 mm receiver of the IRAM 30m telescope. The observed abundance of HOCO+ is compared with the simulations using the 3-phase NAUTILUS chemical model. Implications of the measured abundances of HOCO+ to study the chemistry of CO2 ices using JWST-MIRI and NIRSpec are discussed as well.

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arXiv2017

The Effects of Protostellar Disk Turbulence on CO Emission Lines: A Comparison Study of Disks with Constant CO Abundance vs. Chemically Evolving Disks

Turbulence is the leading candidate for angular momentum transport in protoplanetary disks and therefore influences disk lifetimes and planet formation timescales. However, the turbulent properties of protoplanetary disks are poorly constrained observationally. Recent studies have found turbulent speeds smaller than what fully-developed MRI would produce (Flaherty et al. 2015, 2017). However, existing studies assumed a constant CO/H2 ratio of 0.0001 in locations where CO is not frozen-out or photo-dissociated. Our previous studies of evolving disk chemistry indicate that CO is depleted by incorporation into complex organic molecules well inside the freeze-out radius of CO. We consider the effects of this chemical depletion on measurements of turbulence. Simon et al. (2015) suggested that the ratio of the peak line flux to the flux at line center of the CO J=3-2 transition is a reasonable diagnostic of turbulence, so we focus on that metric, while adding some analysis of the more complex effects on spatial distribution. We simulate the emission lines of CO based on chemical evolution models presented in Yu et al. (2016), and find that the peak-to-trough ratio changes as a function of time as CO is destroyed. Specifically, a CO-depleted disk with high turbulent velocity mimics the peak-to-trough ratios of a non-CO-depleted disk with lower turbulent velocity. We suggest that disk observers and modelers take into account the possibility of CO depletion when using line peak-to-trough ratios to constrain the degree of turbulence in disks. Assuming that CO/H2 = 0.0001 at all disk radii can lead to underestimates of turbulent speeds in the disk by at least 0.2 km/s.

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arXiv2017

Quantifying the Impact of Spectral Coverage on the Retrieval of Molecular Abundances from Exoplanet Transmission Spectra

Using forward models for representative exoplanet atmospheres and a radiometric instrument model, we have generated synthetic observational data to explore how well the major C- and O-bearing chemical species (CO, CO2, CH4, and H2O), important for determining atmospheric opacity and radiation balance, can be constrained by transit measurements as a function of spectral wavelength coverage. This work features simulations for a notional transit spectroscopy mission and compares two cases for instrument spectral coverage (wavelength coverage from 0.5-2.5 $μ$m and 0.5-5 $μ$m. The simulation is conducted on a grid with a range of stellar magnitudes and incorporates a full retrieval of atmospheric model parameters. We consider a range of planets from sub-Neptunes to hot Jupiters and include both low and high mean molecular weight atmospheres. We find that including the 2.5-5 $μ$m wavelength range provides a significant improvement in the degree of constraint on the retrieved molecular abundances: up to ~3 orders of magnitude for a low mean molecular weight atmosphere ($μ$=2.3) and up to a factor of ~6 for a high mean molecular weight atmosphere ($μ$=28). These decreased uncertainties imply that broad spectral coverage between the visible and the mid-infrared is an important tool for understanding the chemistry and composition of exoplanet atmospheres. This analysis suggests that the JWST/NIRSpec 0.6-5 $μ$m prism spectroscopy mode, or similar wavelength coverage with possible future missions, will be an important resource for exoplanet atmospheric characterization.

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arXiv2017

Disk masses around solar-mass stars are underestimated by CO observations

Gas in protostellar disks provides the raw material for giant planet formation and controls the dynamics of the planetesimal-building dust grains. Accurate gas mass measurements help map the observed properties of planet-forming disks onto the formation environments of known exoplanets. Rare isotopologues of carbon monoxide (CO) have been used as gas mass tracers for disks in the Lupus star-forming region, with an assumed interstellar CO/H$_2$ abundance ratio. Unfortunately, observations of T-Tauri disks show that CO abundance is not interstellar---a finding reproduced by models that show CO abundance decreasing both with distance from the star and as a function of time. Here we present radiative transfer simulations that assess the accuracy of CO-based disk mass measurements. We find that the combination of CO chemical depletion in the outer disk and optically thick emission from the inner disk leads observers to underestimate gas mass by more than an order of magnitude if they use the standard assumptions of interstellar CO/H$_2$ ratio and optically thin emission. Furthermore, CO abundance changes on million-year timescales, introducing an age/mass degeneracy into observations. To reach factor of a few accuracy for CO-based disk mass measurements, we suggest that observers and modelers adopt the following strategies: (1) select the low-$J$ transitions; (2) observe multiple CO isotopologues and use either intensity ratios or normalized line profiles to diagnose CO chemical depletion; and (3) use spatially resolved observations to measure the CO abundance distribution.

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arXiv2016

A new astrobiological model of the atmosphere of Titan

We present results of an investigation into the formation of nitrogen-bearing molecules in the atmosphere of Titan. We extend a previous model (Li et al. 2015, 2016) to cover the region below the tropopause, so the new model treats the atmosphere from Titan's surface to an altitude of 1500 km. We consider the effects of condensation and sublimation using a continuous, numerically stable method. This is coupled with parameterized treatments of the sedimentation of the aerosols and their condensates, and the formation of haze particles. These processes affect the abundances of heavier species such as the nitrogen-bearing molecules, but have less effect on the abundances of lighter molecules. Removal of molecules to form aerosols also plays a role in determining the mixing ratios, in particular of HNC, HC3N and HCN. We find good agreement with the recently detected mixing ratios of C2H5CN, with condensation playing an important role in determining the abundance of this molecule below 500 km. Of particular interest is the chemistry of acrylonitrile (C2H3CN) which has been suggested by Stevenson et al. (2015) as a molecule that could form biological membranes in an oxygen-deficient environment. With the inclusion of haze formation we find good agreement of our model predictions of acrylonitrile with the available observations.

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arXiv2016

Probing Planet Forming Zones with Rare CO Isotopologues

The gas near the midplanes of planet-forming protostellar disks remains largely unprobed by observations due to the high optical depth of commonly observed molecules such as CO and H$_2$O. However, rotational emission lines from rare molecules may have optical depths near unity in the vertical direction, so that the lines are strong enough to be detected, yet remain transparent enough to trace the disk midplane. Here we present a chemical model of an evolving T-Tauri disk and predict the optical depths of rotational transitions of $^{12}$C$^{16}$O, $^{13}$C$^{16}$O, $^{12}$C$^{17}$O and $^{12}$C$^{18}$O. The MRI-active disk is primarily heated by the central star due to the formation of the dead zone. CO does not freeze out in our modeled region within $70$AU around a sunlike star. However, the abundance of CO decreases because of the formation of complex organic molecules (COM), producing an effect that can be misinterpreted as the "snow line". These results are robust to variations in our assumptions about the evolution of the gas to dust ratio. The optical depths of low-order rotational lines of C$^{17}$O are around unity, making it possible to see into the disk midplane using C$^{17}$O. Combining observations with modeled C$^{17}$O$/$H$_2$ ratios, like those we provide, can yield estimates of protoplanetary disks' gas masses.

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arXiv2012

A search for co-evolving ion and neutral gas species in prestellar molecular cloud cores

Comparison of linewidths of spectral line profiles of ions and neutral molecules have been recently used to estimate the strength of the magnetic field in turbulent star-forming regions. However, the ion (HCO+) and neutral (HCN) species used in such studies may not be necessarily co-evolving at every scale and density and may thus not trace the same regions. Here, we use coupled chemical/dynamical models of evolving prestellar molecular cloud cores including non-equilibrium chemistry, with and without magnetic fields, to study the spatial distribution of HCO+ and HCN, which have been used in observations of spectral linewidth differences to date. In addition, we seek new ion-neutral pairs that are good candidates for such observations because they have similar evolution and are approximately co-spatial in our models. We identify three such good candidate pairs: HCO+/NO, HCO+/CO, and NO+/NO.

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arXiv2012

Non-Equilibrium Chemistry of Dynamically Evolving Prestellar Cores: II. Ionization and Magnetic Field

We study the effect that non-equilibrium chemistry in dynamical models of collapsing molecular cloud cores has on measurements of the magnetic field in these cores, the degree of ionization, and the mean molecular weight of ions. We find that OH and CN, usually used in Zeeman observations of the line-of-sight magnetic field, have an abundance that decreases toward the center of the core much faster than the density increases. As a result, Zeeman observations tend to sample the outer layers of the core and consistently underestimate the core magnetic field. The degree of ionization follows a complicated dependence on the number density at central densities up to 10^5 cm^{-3} for magnetic models and 10^6 cm^{-3} in non-magnetic models. At higher central densities the scaling approaches a power-law with a slope of -0.6 and a normalization which depends on the cosmic-ray ionization rate ζ and the temperature T as (ζT)^1/2. The mean molecular weight of ions is systematically lower than the usually assumed value of 20 - 30, and, at high densities, approaches a value of 3 due to the asymptotic dominance of the H3+ ion. This significantly lower value implies that ambipolar diffusion operates faster.

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arXiv2012

Non-Equilibrium Chemistry of Dynamically Evolving Prestellar Cores: I. Basic Magnetic and Non-Magnetic Models and Parameter Studies

We combine dynamical and non-equilibrium chemical modeling of evolving prestellar molecular cloud cores, and explore the evolution of molecular abundances in the contracting core. We model both magnetic cores, with varying degrees of initial magnetic support, and non-magnetic cores, with varying collapse delay times. We explore, through a parameter study, the competing effects of various model parameters in the evolving molecular abundances, including the elemental C/O ratio, the temperature, and the cosmic-ray ionization rate. We find that different models show their largest quantitative differences at the center of the core, whereas the outer layers, which evolve slower, have abundances which are severely degenerate among different dynamical models. There is a large range of possible abundance values for different models at a fixed evolutionary stage (central density), which demonstrates the large potential of chemical differentiation in prestellar cores. However, degeneracies among different models, compounded with uncertainties induced by other model parameters, make it difficult to discriminate among dynamical models. To address these difficulties, we identify abundance ratios between particular molecules, the measurement of which would have maximal potential for discrimination among the different models examined here. In particular, we find that the ratios between NH3 and CO; NH2 and CO; NH3 and HCO+ are sensitive to the evolutionary timescale, and that the ratio between HCN and OH is sensitive to the C/O ratio. Finally, we demonstrate that measurements of the central deviation (central depletion or enhancement) of abundances of certain molecules are good indicators of the dynamics of the core.

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arXiv2009

Spitzer mapping of molecular hydrogen pure rotational lines in NGC 1333: A detailed study of feedback in star formation

We present mid-infrared spectral maps of the NGC 1333 star forming region, obtained with the the Infrared Spectrometer on board the Spitzer Space Telescope. Eight pure H2 rotational lines, from S (0) to S (7), are detected and mapped. The H2 emission appears to be associated with the warm gas shocked by the multiple outflows present in the region. A comparison between the observed intensities and the predictions of detailed shock models indicates that the emission arises in both slow (12 - 24 km/s) and fast (36 - 53 km/s) C-type shocks with an initial ortho-to-para ratio of ~ 1. The present H2 ortho-to-para ratio exhibits a large degree of spatial variations. In the post-shocked gas, it is usually about 2, i.e. close to the equilibrium value (~ 3). However, around at least two outflows, we observe a region with a much lower (~ 0.5) ortho-to-para ratio. This region probably corresponds to gas which has been heated-up recently by the passage of a shock front, but whose ortho-to-para has not reached equilibrium yet. This, together with the low initial ortho-to-para ratio needed to reproduce the observed emission, provide strong evidence that H2 is mostly in para form in cold molecular clouds. The H2 lines are found to contribute to 25 - 50% of the total outflow luminosity, and thus can be used to ascertain the importance of star formation feedback on the natal cloud. From these lines, we determine the outflow mass loss rate and, indirectly, the stellar infall rate, the outflow momentum and the kinetic energy injected into the cloud over the embedded phase. The latter is found to exceed the binding energy of individual cores, suggesting that outflows could be the main mechanism for core disruption.

astro-ph.SR↗

arXiv2008

Ice Lines, Planetesimal Composition and Solid Surface Density in the Solar Nebula

To date, there is no core accretion simulation that can successfully account for the formation of Uranus or Neptune within the observed 2-3 Myr lifetimes of protoplanetary disks. Since solid accretion rate is directly proportional to the available planetesimal surface density, one way to speed up planet formation is to take a full accounting of all the planetesimal-forming solids present in the solar nebula. By combining a viscously evolving protostellar disk with a kinetic model of ice formation, we calculate the solid surface density in the solar nebula as a function of heliocentric distance and time. We find three effects that strongly favor giant planet formation: (1) a decretion flow that brings mass from the inner solar nebula to the giant planet-forming region, (2) recent lab results (Collings et al. 2004) showing that the ammonia and water ice lines should coincide, and (3) the presence of a substantial amount of methane ice in the trans-Saturnian region. Our results show higher solid surface densities than assumed in the core accretion models of Pollack et al. (1996) by a factor of 3 to 4 throughout the trans-Saturnian region. We also discuss the location of ice lines and their movement through the solar nebula, and provide new constraints on the possible initial disk configurations from gravitational stability arguments.

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arXiv2008

Carbon isotope fractionation in protoplanetary disks

We investigate the gas-phase and grain-surface chemistry in the inner 30 AU of a typical protoplanetary disk using a new model which calculates the gas temperature by solving the gas heating and cooling balance and which has an improved treatment of the UV radiation field. We discuss inner-disk chemistry in general, obtaining excellent agreement with recent observations which have probed the material in the inner regions of protoplanetary disks. We also apply our model to study the isotopic fractionation of carbon. Results show that the fractionation ratio, 12C/13C, of the system varies with radius and height in the disk. Different behaviour is seen in the fractionation of different species. We compare our results with 12C/13C ratios in the Solar System comets, and find a stark contrast, indicative of reprocessing.

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arXiv2008

Saturn Forms by Core Accretion in 3.4 Myr

We present two new in situ core accretion simulations of Saturn with planet formation timescales of 3.37 Myr (model S0) and 3.48 Myr (model S1), consistent with observed protostellar disk lifetimes. In model S0, we assume rapid grain settling reduces opacity due to grains from full interstellar values (Podolak 2003). In model S1, we do not invoke grain settling, instead assigning full interstellar opacities to grains in the envelope. Surprisingly, the two models produce nearly identical formation timescales and core/atmosphere mass ratios. We therefore observe a new manifestation of core accretion theory: at large heliocentric distances, the solid core growth rate (limited by Keplerian orbital velocity) controls the planet formation timescale. We argue that this paradigm should apply to Uranus and Neptune as well.

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arXiv2006

Benzene formation in the inner regions of protostellar disks

Benzene (c-C6H6) formation in the inner 3 AU of a protostellar disk can be efficient, resulting in high abundances of benzene in the midplane region. The formation mechanism is different to that found in interstellar clouds and in protoplanetary nebulae, and proceeds mainly through the reaction between allene (C3H4) and its ion. This has implications for PAH formation, in that some fraction of PAHs seen in the solar system could be native rather than inherited from the interstellar medium.

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arXiv2004

Electron Abundance in Protostellar Cores

The determination of the fractional electron abundance, Xe, in protostellar cores relies on observations of molecules, such as DCO+, H13CO+ and CO, and on chemical models to interpret their abundance. Studies of protostellar cores have revealed significant variations of Xe from core to core within a range 10^-8<Xe<10^-6. The physical origin of these large variations in Xe is not well understood, unless unlikely variations in the cosmic ray ionization rate or ad hoc values of metal depletion are assumed. In this work we explore other potential causes of these variations in Xe, including core age, extinction and density. We compute numerically the intensity of the radiation field within a density distribution generated by supersonic turbulence. Taking into account the lines of sight in all directions, the effective visual extinction in dense regions is found to be always much lower than the extinction derived from the column density along a fixed line of sight. Dense cores with volume and column densities comparable to observed protostellar cores have relatively low mass-averaged visual extinction, 2mag <= A_V <= 5mag, such that photo-ionization can sometimes be as important as cosmic ray ionization. Chemical models, including gas-grain chemistry and time dependent gas depletion and desorption, are computed for values of visual extinction in the range 2mag <= A_V <= 6mag, and for a hydrogen gas density of 10^4cm^-3$, typical of protostellar cores. The models presented here can reproduce some of the observed variations of ion abundance from core to core as the combined effect of visual extinction and age variations. The range of electron abundances predicted by the models is relatively insenstive to density over 10^4 to 10^6 cm^{-3}.

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arXiv1998

Carbon molecules in the inner wind of the oxygen-rich Mira IK Tauri

The gas-phase non-equilibrium chemistry of the inner wind of the oxygen-rich Mira variable IK Tau (NML Tau) is investigated using a physio-chemical model describing the periodically shocked gas close to the stellar photosphere. We predict the formation in large amounts of a few carbon species in the inner envelope, in particular CO$_2$, which has been recently detected with ISO in the spectra of several oxygen-rich semi-regular and Mira stars. The theoretical abundances are also in excellent agreement with values derived from millimeter and sub-millimeter observations, pointing to the fact that some carbon species in oxygen stars do form from shock chemistry in the inner layers and travel the envelope as ``parent'' species.

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