We present chemical implications arising from spectral models fit to the Herschel/HIFI spectral survey toward the Orion Kleinmann-Low nebula (Orion KL). We focus our discussion on the eight complex organics detected within the HIFI survey utilizing a
novel technique to identify those molecules emitting in the hottest gas. In particular, we find the complex nitrogen bearing species CH$_{3}$CN, C$_{2}$H$_{3}$CN, C$_{2}$H$_{5}$CN, and NH$_{2}$CHO systematically trace hotter gas than the oxygen bearing organics CH$_{3}$OH, C$_{2}$H$_{5}$OH, CH$_{3}$OCH$_{3}$, and CH$_{3}$OCHO, which do not contain nitrogen. If these complex species form predominantly on grain surfaces, this may indicate N-bearing organics are more difficult to remove from grain surfaces than O-bearing species. Another possibility is that hot (T$_{rm kin}$$sim$300 K) gas phase chemistry naturally produces higher complex cyanide abundances while suppressing the formation of O-bearing complex organics. We compare our derived rotation temperatures and molecular abundances to chemical models, which include gas-phase and grain surface pathways. Abundances for a majority of the detected complex organics can be reproduced over timescales $gtrsim$ 10$^{5}$ years, with several species being under predicted by less than 3$sigma$. Derived rotation temperatures for most organics, furthermore, agree reasonably well with the predicted temperatures at peak abundance. We also find that sulfur bearing molecules which also contain oxygen (i.e. SO, SO$_{2}$, and OCS) tend to probe the hottest gas toward Orion KL indicating the formation pathways for these species are most efficient at high temperatures.
We examine changes in the molecular abundances resulting from increased heating due to a self-luminous planetary companion embedded within a narrow circumstellar disk gap. Using 3D models that include stellar and planetary irradiation, we find that l
uminous young planets locally heat up the parent circumstellar disk by many tens of Kelvin, resulting in efficient thermal desorption of molecular species that are otherwise locally frozen out. Furthermore, the heating is deposited over large regions of the disk, $pm5$ AU radially and spanning $lesssim60^circ$ azimuthally. From the 3D chemical models, we compute rotational line emission models and full ALMA simulations, and find that the chemical signatures of the young planet are detectable as chemical asymmetries in $sim10h$ observations. HCN and its isotopologues are particularly clear tracers of planetary heating for the models considered here, and emission from multiple transitions of the same species is detectable, which encodes temperature information in addition to possible velocity information from the spectra itself. We find submillimeter molecular emission will be a useful tool to study gas giant planet formation in situ, especially beyond $Rgtrsim10$ AU.
Aims: Accretion rates in low-mass protostars can be highly variable in time. Each accretion burst is accompanied by a temporary increase in luminosity, heating up the circumstellar envelope and altering the chemical composition of the gas and dust. T
his paper aims to study such chemical effects and discusses the feasibility of using molecular spectroscopy as a tracer of episodic accretion rates and timescales. Methods: We simulate a strong accretion burst in a diverse sample of 25 spherical envelope models by increasing the luminosity to 100 times the observed value. Using a comprehensive gas-grain network, we follow the chemical evolution during the burst and for up to 10^5 yr after the system returns to quiescence. The resulting abundance profiles are fed into a line radiative transfer code to simulate rotational spectra of C18O, HCO+, H13CO+, and N2H+ at a series of time steps. We compare these spectra to observations taken from the literature and to previously unpublished data of HCO+ and N2H+ 6-5 from the Herschel Space Observatory. Results: The bursts are strong enough to evaporate CO throughout the envelope, which in turn enhances the abundance of HCO+ and reduces that of N2H+. After the burst, it takes 10^3-10^4 yr for CO to refreeze and for HCO+ and N2H+ to return to normal. The chemical effects of the burst remain visible in the rotational spectra for as long as 10^5 yr after the burst has ended, highlighting the importance of considering luminosity variations when analyzing molecular line observations in protostars. The spherical models are currently not accurate enough to derive robust timescales from single-dish observations. As follow-up work, we suggest that the models be calibrated against spatially resolved observations in order to identify the best tracers to be used for statistically significant source samples.
In this Letter we model the chemistry of DCO$^{+}$ in protoplanetary disks. We find that the overall distribution of the DCO$^{+}$ abundance is qualitatively similar to that of CO but is dominated by thin layer located at the inner disk surface. To u
nderstand its distribution, we investigate the different key gas-phase deuteration pathways that can lead to the formation of DCO$^{+}$. Our analysis shows that the recent update in the exothermicity of the reaction involving CH$_2$D$^{+}$ as a parent molecule of DCO$^{+}$ favors deuterium fractionation in warmer conditions. As a result the formation of DCO$^{+}$ is enhanced in the inner warm surface layers of the disk where X-ray ionization occurs. Our analysis points out that DCO$^{+}$ is not a reliable tracer of the CO snow line as previously suggested. We thus predict that DCO$^{+}$ is a tracer of active deuterium and in particular X-ray ionization of the inner disk.
The recent (apparent) passage of the Voyager 1 spacecraft into interstellar space provides us with front-row seats to the complex interplay between the solar wind and the protective surrounding bubble known as heliosphere. The heliosphere extends rad
ially out to $sim100$ AU from the sun, and within this sphere of influence, the solar wind modulates the incoming flux of galactic cosmic rays (CRs), especially those at low energies. Newly formed stars, which support both strong magnetic fields and winds, are expected to produce analogous regions of CR exclusion, perhaps at elevated levels. Such young stars are encircled by molecular gas-rich disks, and the net removal of CRs from the circumstellar environment significantly reduces the expected CR ionization rate in the disk gas, most likely by many orders-of-magnitude. The loss of ionization reduces disk turbulence, and thereby affects both planet-formation and active chemical processes in the disk. We present models of CR exclusion and explore the implications for turbulence and for predicted chemical abundances. We also discuss means by which ALMA can be used to search for extrasolar heliosphere-analogs around young stars.
We present an observational and theoretical study of the primary ionizing agents (cosmic rays and X-rays) in the TW Hya protoplanetary disk. We use a set of resolved and unresolved observations of molecular ions and other molecular species, encompass
ing eleven lines total, in concert with a grid of disk chemistry models. The molecular ion constraints comprise new data from the Submillimeter Array on HCO$^+$, acquired at unprecedented spatial resolution, and data from the literature, including ALMA observations of N$_2$H$^+$. We vary the model incident CR flux and stellar X-ray spectra and find that TW Hyas HCO$^+$ and N$_2$H$^+$ emission are best fit by a moderately hard X-ray spectra, as would be expected during the flaring state of the star, and a low CR ionization rate, $zeta_{rm CR}lesssim10^{-19}$ s$^{-1}$. This low CR rate is the first indication of the presence of CR exclusion by winds and/or magnetic fields in an actively accreting T Tauri disk system. With this new constraint, our best fit ionization structure predicts a low turbulence dead-zone extending from the inner edge of the disk out to $50-65$ AU. This region coincides with an observed concentration of millimeter grains, and we propose that the inner region of TW Hya is a dust (and possibly planet) growth factory as predicted by previous theoretical work.
The dominant form of nitrogen provided to most solar system bodies is currently unknown, though available measurements show that the detected nitrogen in solar system rocks and ices is depleted with respect to solar abundances and the interstellar me
dium. We use a detailed chemical/physical model of the chemical evolution of a protoplanetary disk to explore the evolution and abundance of nitrogen-bearing molecules. Based on this model we analyze how initial chemical abundances, provided as either gas or ice during the early stages of disk formation, influence which species become the dominant nitrogen bearers at later stages. We find that a disk with the majority of its initial nitrogen in either atomic or molecular nitrogen is later dominated by atomic and molecular nitrogen as well as NH$_{3}$ and HCN ices, where the dominant species varies with disk radius. When nitrogen is initially in gaseous ammonia, it later becomes trapped in ammonia ice except in the outer disk where atomic nitrogen dominates. For a disk with the initial nitrogen in the form of ammonia ice the nitrogen remains trapped in the ice as NH$_{3}$ at later stages. The model in which most of the initial nitrogen is placed in atomic N best matches the ammonia abundances observed in comets. Furthermore the initial state of nitrogen influences the abundance of N$_{2}$H$^{+}$, which has been detected in protoplanetary disks. Strong N$_{2}$H$^{+}$ emission is found to be indicative of an N$_{2}$ abundance greater than $n_{mathrm{N_{2}}}/n_{mathrm{H_{2}}}>10^{-6}$, in addition to tracing the CO snow line. Our models also indicate that NO is potentially detectable, with lower N gas abundances leading to higher NO abundances.
Identifying the source of Earths water is central to understanding the origins of life-fostering environments and to assessing the prevalence of such environments in space. Water throughout the solar system exhibits deuterium-to-hydrogen enrichments,
a fossil relic of low-temperature, ion-derived chemistry within either (i) the parent molecular cloud or (ii) the solar nebula protoplanetary disk. Utilizing a comprehensive treatment of disk ionization, we find that ion-driven deuterium pathways are inefficient, curtailing the disks deuterated water formation and its viability as the sole source for the solar systems water. This finding implies that if the solar systems formation was typical, abundant interstellar ices are available to all nascent planetary systems.
We present a comprehensive analysis of a broad band spectral line survey of the Orion Kleinmann-Low nebula (Orion KL), one of the most chemically rich regions in the Galaxy, using the HIFI instrument on board the Herschel Space Observatory. This surv
ey spans a frequency range from 480 to 1907 GHz at a resolution of 1.1 MHz. These observations thus encompass the largest spectral coverage ever obtained toward this high-mass star-forming region in the sub-mm with high spectral resolution, and include frequencies $>$ 1 THz where the Earths atmosphere prevents observations from the ground. In all, we detect emission from 39 molecules (79 isotopologues). Combining this dataset with ground based mm spectroscopy obtained with the IRAM 30 m telescope, we model the molecular emission from the mm to the far-IR using the XCLASS program which assumes local thermodynamic equilibrium (LTE). Several molecules are also modeled with the MADEX non-LTE code. Because of the wide frequency coverage, our models are constrained by transitions over an unprecedented range in excitation energy. A reduced $chi^{2}$ analysis indicates that models for most species reproduce the observed emission well. In particular, most complex organics are well fit by LTE implying gas densities are high ($>$10$^6$ cm$^{-3}$) and excitation temperatures and column densities are well constrained. Molecular abundances are computed using H$_{2}$ column densities also derived from the HIFI survey. The distribution of rotation temperatures, $T_{rm rot}$, for molecules detected toward the hot core is significantly wider than the compact ridge, plateau, and extended ridge $T_{rm rot}$ distributions, indicating the hot core has the most complex thermal structure.
Volatiles are compounds with low sublimation temperatures, and they make up most of the condensible mass in typical planet-forming environments. They consist of relatively small, often hydrogenated, molecules based on the abundant elements carbon, ni
trogen and oxygen. Volatiles are central to the process of planet formation, forming the backbone of a rich chemistry that sets the initial conditions for the formation of planetary atmospheres, and act as a solid mass reservoir catalyzing the formation of planets and planetesimals. This growth has been driven by rapid advances in observations and models of protoplanetary disks, and by a deepening understanding of the cosmochemistry of the solar system. Indeed, it is only in the past few years that representative samples of molecules have been discovered in great abundance throughout protoplanetary disks - enough to begin building a complete budget for the most abundant elements after hydrogen and helium. The spatial distributions of key volatiles are being mapped, snow lines are directly seen and quantified, and distinct chemical regions within protoplanetary disks are being identified, characterized and modeled. Theoretical processes invoked to explain the solar system record are now being observationally constrained in protoplanetary disks, including transport of icy bodies and concentration of bulk condensibles. The balance between chemical reset - processing of inner disk material strong enough to destroy its memory of past chemistry, and inheritance - the chemically gentle accretion of pristine material from the interstellar medium in the outer disk, ultimately determines the final composition of pre-planetary matter. This chapter focuses on making the first steps toward understanding whether the planet formation processes that led to our solar system are universal.
