arXiv subjects

T. J. Millar

Publications and source records attributed to T. J. Millar.

At least 37 records · Page 2Linked to original sources

arXiv2020

Chemical modelling of dust-gas chemistry within AGB outflows III. Photoprocessing of the ice and return to the ISM

To explain the properties of dust in the interstellar medium (ISM), the presence of a refractory organic mantle is necessary. The outflows of AGB stars are among the main contributors of stellar dust to the ISM. We present the first study of the refractory organic contribution of AGB stars to the ISM. Based on laboratory experiments, we included a new reaction in our extended chemical kinetics model: the photoprocessing of volatile complex ices into inert refractory organic material. The refractory organic feedback of AGB outflows to the ISM is estimated using observationally motivated parent species and grids of models of C-rich and O-rich outflows. Refractory organic material is mainly inherited from the gas phase through accretion onto the dust and subsequent photoprocessing. Grain-surface chemistry, initiated by photodissociation of ices, produces only a minor part and takes place in a sub-monolayer regime in almost all outflows. The formation of refractory organic material increases with outflow density and depends on the initial gas-phase composition. While O-rich dust is negligibly covered by refractory organics, C-rich dust has an average coverage of $3-9\%$, but can be as high as $8-22\%$. Although C-rich dust does not enter the ISM bare, its average coverage is too low to influence its evolution in the ISM or significantly contribute to the coverage of interstellar dust. This study opens up questions on the coverage of other dust-producing environments. It highlights the need for an improved understanding of dust formation and for models specific to density structures within the outflow.

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arXiv2020

Species cycling and the enhancement of ammonia in prestellar cores

The quantity of NH3 produced on grain surfaces in the prestellar core is thought to be one of the determining factors regarding the chemical complexity achievable at later stages of stellar birth. In order to investigate how this quantity might be influenced by the gas-grain cycling of molecular material within the cloud, we employ a modified rates gas-grain chemical code and follow the time-dependent chemistry of NH3 as the system evolves. Our models incorporate an updated version of the most recent UDfA network of reaction rate coefficients, desorption from the grains through standard thermal and non-thermal processes, and physisorbed and chemisorbed binding of atomic and molecular hydrogen to a population of carbonaceous and siliceous grains. We find that 1.) observable abundances of NH3 can exist in the gas phase of our models at early times when the N atom is derived from CN via an efficient early-time hydrocarbon chemistry, 2.) a time-dependent gradient exists in the observational agreement between different species classes in our models, consistent with possible physical substructures within the TMC-1 Cyanopolyyne Peak, and 3.) the gaseous and solid-state abundances of NH3 are sensitive to the presence of gas-grain cycling within the system. Our results suggest that the degree of chemical complexity achievable at later stages of the cloud's chemical evolution is indeed influenced by the manner in which the gas-grain cycling occurs.

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arXiv2020

(Sub)stellar companions shape the winds of evolved stars

Binary interactions dominate the evolution of massive stars, but their role is less clear for low- and intermediate-mass stars. The evolution of a spherical wind from an asymptotic giant branch (AGB) star into a nonspherical planetary nebula (PN) could be due to binary interactions. We observed a sample of AGB stars with the Atacama Large Millimeter/submillimeter Array (ALMA) and found that their winds exhibit distinct nonspherical geometries with morphological similarities to planetary nebulae (PNe). We infer that the same physics shapes both AGB winds and PNe; additionally, the morphology and AGB mass-loss rate are correlated. These characteristics can be explained by binary interaction. We propose an evolutionary scenario for AGB morphologies that is consistent with observed phenomena in AGB stars and PNe.

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arXiv2019

Dust continuum emission and the upper limit fluxes of sub-millimeter water lines of the protoplanetary disk around HD 163296 observed by ALMA

In this paper, we analyse the upper limit fluxes of sub-millimeter ortho-H$_{2}$$^{16}$O 321 GHz, para-H$_{2}$$^{18}$O 322 GHz, and HDO 335 GHz lines from the protoplanetary disk around the Herbig Ae star HD 163296, using the Atacama Large Millimeter/Submillimeter Array (ALMA). These water lines are considered to be the best candidate sub-millimeter lines to locate the position of the H$_{2}$O snowline, on the basis of our previous model calculations. We compare the upper limit fluxes with the values calculated by our models with dust emission included, and we constrain the line emitting region and the dust opacity from the observations. We conclude that, if the outer edge of the region with high water vapor abundance and if the position of the water snowline are beyond 8 au also, the mm dust opacity will have a value larger than 2.0 cm$^{2}$ g$^{-1}$. In addition, the position of the water snowline will be inside 20 au, if the mm dust opacity is 2.0 cm$^{2}$ g$^{-1}$. Future observations of the dust continuum emission at higher angular resolution and sub-millimeter water lines with longer observation time are required to clarify the detailed structures and the position of the H$_{2}$O snowline in the disk midplane.

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arXiv2018

The effect of carbon grain destruction on the chemical structure of protoplanetary disks

The bulk composition of the Earth is dramatically carbon poor compared to that of the interstellar medium, and this phenomenon extends to the asteroid belt. To interpret this carbon deficit problem, the carbonaceous component in grains must have been converted into the gas-phase in the inner regions of protoplanetary disks prior to planetary formation. We examine the effect of carbon grain destruction on the chemical structure of disks by calculating the molecular abundances and distributions using a comprehensive chemical reaction network. When carbon grains are destroyed and the elemental abundance of the gas becomes carbon-rich, the abundances of carbon-bearing molecules, such as HCN and carbon-chain molecules, increase dramatically near the midplane, while oxygen-bearing molecules, such as H$_2$O and CO$_2$, are depleted. We compare the results of these model calculations with the solid carbon fraction in the solar system. Although we find a carbon depletion gradient, there are some quantitative discrepancies: the model shows a higher value at the position of asteroid belt and a lower value at the location of the Earth. In addition, using the obtained molecular abundances distributions, coupled with line radiative transfer calculations, we make predictions for ALMA to potentially observe the effect of carbon grain destruction in nearby protoplanetary disks. The results indicate that HCN, H$^{13}$CN and c-C$_3$H$_2$ may be good tracers.

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arXiv2018

Candidate Water Vapor Lines to Locate the $\mathrm{H_2O}$ Snowline through High-dispersion Spectroscopic Observations. III. Submillimeter $\mathrm{H_2}$$^{16}\mathrm{O}$ and $\mathrm{H_2}$$^{18}\mathrm{O}$ Lines

In this paper, we extend the results presented in our former papers (Notsu et al. 2016, 2017) on using ortho-$\mathrm{H_2}$$^{16}\mathrm{O}$ line profiles to constrain the location of the $\mathrm{H_2O}$ snowline in T Tauri and Herbig Ae disks, to include sub-millimeter para-$\mathrm{H_2}$$^{16}\mathrm{O}$ and ortho- and para-$\mathrm{H_2}$$^{18}\mathrm{O}$ lines. Since the number densities of the ortho- and para-H$_{2}$$^{18}$O molecules are about 560 times smaller than their $^{16}$O analogues, they trace deeper into the disk than the ortho-H$_{2}$$^{16}$O lines (down to $z=0$, i.e., the midplane). Thus these H$_{2}$$^{18}$O lines are potentially better probes of the position of the H$_{2}$O snowline at the disk midplane, depending on the dust optical depth. The values of the Einstein $A$ coefficients of sub-millimeter candidate water lines tend to be lower (typically $<$$10^{-4}$ s$^{-1}$) than infrared candidate water lines (Notsu et al. 2017). Thus in the sub-millimeter candidate water line cases, the local intensity from the outer optically thin region in the disk is around $10^{4}$ times smaller than that in the infrared candidate water line cases. Therefore, in the sub-millimeter lines, especially H$_{2}$$^{18}$O and para-H$_{2}$$^{16}$O lines with relatively lower upper state energies ($\sim$ a few 100K) can also locate the position of the $\mathrm{H_2O}$ snowline. We also investigate the possibility of future observations with ALMA to identify the position of the water snowline. There are several candidate water lines that trace the hot water vapor inside the $\mathrm{H_2O}$ snowline in ALMA Bands $5-10$.

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arXiv2018

Determining the effects of clumping and porosity on the chemistry in a non-uniform AGB outflow

(abridged) In the inner regions of AGB outflows, several molecules have been detected with abundances much higher than those predicted from thermodynamic equilibrium (TE) chemical models. The presence of the majority of these species can be explained by shock-induced non-TE chemical models, where shocks caused by the pulsating star take the chemistry out of TE in the inner region. Moreover, a non-uniform density structure has been detected in several AGB outflows. A detailed parameter study on the quantitative effects of a non-homogeneous outflow has so far not been performed. We implement a porosity formalism for treating the increased leakage of light associated with radiation transport through a clumpy, porous medium. The effects from the altered UV radiation field penetration on the chemistry, accounting also for the increased reaction rates of two-body processes in the overdense clumps, are examined. We present a parameter study of the effect of clumping and porosity on the chemistry throughout the outflow. Both the higher density within the clumps and the increased UV radiation field penetration have an important impact on the chemistry, as they both alter the chemical pathways. The increased amount of UV radiation in the inner region leads to photodissociation of parent species, releasing the otherwise deficient elements. We find an increased abundance in the inner region of all species not expected to be present assuming TE chemistry, such as HCN in O-rich outflows, H$_2$O in C-rich outflows, and NH$_3$ in both. Outflows whose clumps have a large overdensity and that are very porous to the interstellar UV radiation field yield abundances comparable to those observed in O- and C-rich outflows for most of the unexpected species investigated. The inner wind abundances of H$_2$O in C-rich outflows and of NH$_3$ in O- and C-rich outflows are however underpredicted.

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arXiv2017

Sulphur-bearing molecules in AGB stars I: The occurrence of hydrogen sulfide

Through a survey of (sub-)millimetre emission lines of various sulphur-bearing molecules, we aim to determine which molecules are the primary carriers of sulphur in different types of AGB stars. In this paper, the first in a series, we investigate the occurrence of H$_2$S in AGB circumstellar envelopes and determine its abundance, where possible. We have surveyed 20 AGB stars with a range of mass-loss rates and of different chemical types using the APEX telescope to search for rotational transition lines of five key sulphur-bearing molecules: CS, SiS, SO, SO$_2$ and H$_2$S. Here we present our results for H$_2$S, including detections, non-detections and detailed radiative transfer modelling of the detected lines. We compare results based on different descriptions of the molecular excitation of H$_2$S and different abundance distributions, including those derived from chemical modelling results. We detected H$_2$S towards five AGB stars, all of which have high mass-loss rates of $\dot{M}\geq 5\times 10^{-6}M_\odot$ yr$^{-1}$ and are oxygen-rich. H$_2$S was not detected towards the carbon or S-type stars that fall in a similar mass-loss range. For the stars in our sample with detections, we find peak o-H$_2$S abundances relative to H$_2$ between $4\times 10^{-7}$ and $2.5\times 10^{-5}$. Overall, we conclude that H$_2$S can play a significant role in oxygen-rich AGB stars with higher mass-loss rates, but is unlikely to play a key role in stars of other chemical types or the lower mass-loss rate oxygen-rich stars. For two sources, V1300 Aql and GX Mon, H$_2$S is most likely the dominant sulphur-bearing molecule in the circumstellar envelope.

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arXiv2017

Candidate Water Vapor Lines to Locate the H$_{2}$O Snowline through High-Dispersion Spectroscopic Observations II. The Case of a Herbig Ae Star

Observationally measuring the location of the H$_{2}$O snowline is crucial for understanding the planetesimal and planet formation processes, and the origin of water on Earth. In disks around Herbig Ae stars ($T_{\mathrm{*}}\sim$ 10,000K, $M_{\mathrm{*}}\gtrsim$ 2.5$M_{\bigodot}$), the position of the H$_{2}$O snowline is further from the central star compared with that around cooler, and less massive T Tauri stars. Thus, the H$_{2}$O emission line fluxes from the region within the H$_{2}$O snowline are expected to be stronger. In this paper, we calculate the chemical composition of a Herbig Ae disk using chemical kinetics. Next, we calculate the H$_{2}$O emission line profiles, and investigate the properties of candidate water lines across a wide range of wavelengths (from mid-infrared to sub-millimeter) that can locate the position of the H$_{2}$O snowline. Those line identified have small Einstein $A$ coefficients ($\sim 10^{-6} -10^{-3}$ s$^{-1}$) and relatively high upper state energies ($\sim$ 1000K). The total fluxes tend to increase with decreasing wavelengths. We investigate the possibility of future observations (e.g., ALMA, SPICA/SMI-HRS) to locate the position of the H$_{2}$O snowline. Since the fluxes of those identified lines from Herbig Ae disks are stronger than those from T Tauri disks, the possibility of a successful detection is expected to increase for a Herbig Ae disk.

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arXiv2016

Candidate Water Vapor Lines to Locate the H$_{2}$O Snowline through High-Dispersion Spectroscopic Observations I. The Case of a T Tauri Star

Inside the H$_{2}$O snowline of protoplanetary disks, water evaporates from the dust-grain surface into the gas phase, whereas it is frozen out on to the dust in the cold region beyond the snowline. H$_{2}$O ice enhances the solid material in the cold outer part of a disk, which promotes the formation of gas-giant planet cores. We can regard the H$_{2}$O snowline as the surface that divides the regions between rocky and gaseous giant planet formation. Thus observationally measuring the location of the H$_{2}$O snowline is crucial for understanding the planetesimal and planet formation processes, and the origin of water on Earth. In this paper, we find candidate water lines to locate the H$_{2}$O snowline through future high-dispersion spectroscopic observations. First, we calculate the chemical composition of the disk and investigate the abundance distributions of H$_{2}$O gas and ice, and the position of the H$_{2}$O snowline. We confirm that the abundance of H$_{2}$O gas is high not only in the hot midplane region inside the H$_{2}$O snowline but also in the hot surface layer of the outer disk. Second, we calculate the H$_{2}$O line profiles and identify those H$_{2}$O lines which are promising for locating the H$_{2}$O snowline: the identified lines are those which have small Einstein $A$ coefficients and high upper state energies. The wavelengths of the candidate H$_{2}$O lines range from mid-infrared to sub-millimeter, and they overlap with the regions accessible to ALMA and future mid-infrared high dispersion spectrographs (e.g., TMT/MICHI, SPICA).

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arXiv2016

Chemistry in AGB stars: successes and challenges

Emission and absorption line observations of molecules in late-type stars are a vital component in our understanding of stellar evolution, dust formation and mass loss in these objects. The molecular composition of the gas in the circumstellar envelopes of AGB stars reflects chemical processes in gas whose properties are strong functions of radius with density and temperature varying by more than ten and two orders of magnitude, respectively. In addition, the interstellar UV field plays a critical role in determining not only molecular abundances but also their radial distributions. In this article, I shall briefly review some recent successful approaches to describing chemistry in both the inner and outer envelopes and outline areas of challenge for the future.

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arXiv2016

ALMA-resolved salt emission traces the chemical footprint and inner wind morphology of VY CMa

(abreviated) We aim to study the inner-wind structure (R<250 Rstar) of the well-known red supergiant VY CMa. We analyse high spatial resolution (~0".24x0".13) ALMA Science Verification (SV) data in band 7 in which four thermal emission lines of gaseous sodium chloride (NaCl) are present at high signal-to-noise ratio. For the first time, the NaCl emission in the inner wind region of VY CMa is spatially resolved. The ALMA observations reveal the contribution of up to four different spatial regions. The NaCl emission pattern is different compared to the dust continuum and TiO2 emission already analysed from the ALMA SV data. The emission can be reconciled with an axisymmetric geometry, where the lower density polar/rotation axis has a position angle of ~50 degrees measured from north to east. However, this picture can not capture the full morphological diversity, and discrete mass ejection events need to be invoked to explain localized higher-density regions. The velocity traced by the gaseous NaCl line profiles is significantly lower than the average wind terminal velocity, and much slower than some of the fastest mass ejections, signalling a wide range of characteristic speeds for the mass loss. Gaseous NaCl is detected far beyond the main dust condensation region. Realising the refractory nature of this metal halide, this hints at a chemical process preventing all NaCl from condensing onto dust grains. We show that in the case of the ratio of the surface binding temperature to the grain temperature being ~50, only some 10% of NaCl remains in gaseous form, while for lower values of this ratio thermal desorption efficiently evaporates NaCl. Photodesorption by stellar photons seems not to be a viable explanation for the detection of gaseous NaCl at 220 Rstar from the central star, and instead, we propose shock-induced sputtering driven by localized mass ejection events as alternative.

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arXiv2016

ALMA Observations of a Gap and a Ring in the Protoplanetary Disk around TW Hya

We report the first detection of a gap and a ring in 336 GHz dust continuum emission from the protoplanetary disk around TW Hya, using the Atacama Large Millimeter/Submillimeter Array (ALMA). The gap and ring are located at around 25 and 41 au from the central star, respectively, and are associated with the CO snow line at ~30 au. The gap has a radial width of less than 15 au and a mass deficit of more than 23%, taking into account that the observations are limited to an angular resolution of ~15 au. In addition, the 13CO and C18O J = 3 - 2 lines show a decrement in CO line emission throughout the disk, down to ~10 au, indicating a freeze-out of gas-phase CO onto grain surfaces and possible subsequent surface reactions to form larger molecules. The observed gap could be caused by gravitational interaction between the disk gas and a planet with a mass less than super-Neptune (2M_{Neptune}), or could be the result of the destruction of large dust aggregates due to the sintering of CO ice.

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arXiv2014

The irradiation of water ice by C$^+$ ions in the cosmic environment

We present a first principles molecular dynamics (FPMD) study of the interaction of low energy, positively charged, carbon (C+) projectiles with amorphous solid water clusters at 30 K. Reactions involving the carbon ion at an initial energy of 11 eV and 1.7 eV with 30-molecule clusters have been investigated. Simulations indicate that the neutral isoformyl radical, COH, and carbon monoxide, CO, are the dominant products of these reactions. All these reactions are accompanied by the transfer of a proton from the reacting water molecule to the ice, where it forms a hydronium ion. We find that COH is formed either via a direct, "knock-out", mechanism following the impact of the C+ projectile upon a water molecule or by creation of a COH_2^+ intermediate. The direct mechanism is more prominent at higher energies. CO is generally produced following the dissociation of COH. More frequent production of the formyl radical, HCO, is observed here than in gas phase calculations. A less commonly occurring product is the dihydroxymethyl, CH(OH)_2, radical. Although a minor result, its existence gives an indication of the increasing chemical complexity which is possible in such heterogeneous environments.

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arXiv2014

ALMA hints at the presence of two companions in the disk around HD 100546

HD 100546 is a well-studied Herbig Be star-disk system that likely hosts a close-in companion with compelling observational evidence for an embedded protoplanet at 68 AU. We present ALMA observations of the HD 100546 disk which resolve the gas and dust structure at (sub)mm wavelengths. The CO emission (at 345.795 GHz) originates from an extensive molecular disk (390+/-20 AU in radius) whereas the continuum emission is more compact (230+/-20 AU in radius) suggesting radial drift of the mm-sized grains. The CO emission is similar in extent to scattered light images indicating well-mixed gas and um-sized grains in the disk atmosphere. Assuming azimuthal symmetry, a single-component power-law model cannot reproduce the continuum visibilities. The visibilities and images are better reproduced by a double-component model: a compact ring with a width of 21 AU centered at 26 AU and an outer ring with a width of 75+/-3 AU centered at 190+/-3 AU. The influence of a companion and protoplanet on the dust evolution is investigated. The companion at 10 AU facilitates the accumulation of mm-sized grains within a compact ring, ~ 20 - 30 AU, by ~ 10 Myr. The injection of a protoplanet at 1 Myr hastens the ring formation (~ 1.2 Myr) and also triggers the development of an outer ring (~ 100 - 200 AU). These observations provide additional evidence for the presence of a close-in companion and hint at dynamical clearing by a protoplanet in the outer disk.

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arXiv2014

Photodissociation and chemistry of N$_2$ in the circumstellar envelope of carbon-rich AGB stars

The envelopes of AGB stars are irradiated externally by ultraviolet photons; hence, the chemistry is sensitive to the photodissociation of N$_2$ and CO, which are major reservoirs of nitrogen and carbon, respectively. The photodissociation of N$_2$ has recently been quantified by laboratory and theoretical studies. Improvements have also been made for CO photodissociation. For the first time, we use accurate N$_2$ and CO photodissociation rates and shielding functions in a model of the circumstellar envelope of the carbon-rich AGB star, IRC +10216. We use a state-of-the-art chemical model of an AGB envelope, the latest CO and N$_2$ photodissociation data, and a new method for implementing molecular shielding functions in full spherical geometry with isotropic incident radiation. We compare computed column densities and radial distributions of molecules with observations. The transition of N$_2$ $\to$ N (also, CO $\to$ C $\to$ C$^+$) is shifted towards the outer envelope relative to previous models. This leads to different column densities and radial distributions of N-bearing species, especially those species whose formation/destruction processes largely depend on the availability of atomic or molecular nitrogen, for example, C$_n$N ($n$=1, 3, 5), C$_n$N$^-$ ($n$=1, 3, 5), HC$_n$N ($n$=1, 3, 5, 7, 9), H$_2$CN and CH$_2$CN. The chemistry of many species is directly or indirectly affected by the photodissociation of N$_2$ and CO, especially in the outer shell of AGB stars where photodissociation is important. Thus, it is important to include N$_2$ and CO shielding in astrochemical models of AGB envelopes and other irradiated environments. In general, while differences remain between our model of IRC +10216 and the observed molecular column densities, better agreement is found between the calculated and observed radii of peak abundance.

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arXiv2014

Complex organic molecules along the accretion flow in isolated and externally irradiated protoplanetary disks

(Abridged) The birth environment of the Sun will have influenced the conditions in the pre-solar nebula, including the attainable chemical complexity, important for prebiotic chemistry. The formation and distribution of complex organic molecules (COMs) in a disk around a T Tauri star is investigated for two scenarios: (i) an isolated disk, and (ii) a disk irradiated externally by a nearby massive star. The chemistry is calculated along the accretion flow from the outer disk inwards using a comprehensive network. Two simulations are performed, one beginning with complex ices and one with simple ices only. For the isolated disk, COMs are transported without major alteration into the inner disk where they thermally desorb into the gas reaching an abundance representative of the initial assumed ice abundance. For simple ices, COMs efficiently form on grain surfaces under the conditions in the outer disk. Gas-phase COMs are released into the molecular layer via photodesorption. For the irradiated disk, complex ices are also transported inwards; however, they undergo thermal processing caused by the warmer conditions in the irradiated disk which tends to reduce their abundance along the accretion flow. For simple ices, grain-surface chemistry cannot synthesise COMs in the outer disk because the necessary grain-surface radicals, which tend to be particularly volatile, are not sufficiently abundant on the grain surfaces. Gas-phase COMs are formed in the inner region of the irradiated disk via gas-phase chemistry induced by the desorption of strongly bound molecules such as methanol; hence, the abundances are not representative of the initial molecular abundances injected into the outer disk. These results suggest that the composition of comets formed in isolated disks may differ from those formed in externally irradiated disks with the latter composed of more simple ices.

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arXiv2014

Complex organic molecules in protoplanetary disks

(Abridged) Protoplanetary disks are vital objects in star and planet formation, possessing all the material which may form a planetary system orbiting the new star. We investigate the synthesis of complex organic molecules (COMs) in disks to constrain the achievable chemical complexity and predict species and transitions which may be observable with ALMA. We have coupled a 2D model of a protoplanetary disk around a T Tauri star with a gas-grain chemical network including COMs. We compare compare synthesised line intensities and calculated column densities with observations and determine those COMs which may be observable in future. COMs are efficiently formed in the disk midplane via grain-surface chemical reactions, reaching peak grain-surface fractional abundances 1e-6 - 1e-4 that of the H nuclei number density. COMs formed on grain surfaces are returned to the gas phase via non-thermal desorption; however, gas-phase species reach lower fractional abundances than their grain-surface equivalents, 1e-12 - 1e-7. Including the irradiation of grain mantle material helps build further complexity in the ice through the replenishment of grain-surface radicals which take part in further grain-surface reactions. There is reasonable agreement with several line transitions of H2CO observed towards several T Tauri star-disk systems. The synthesised line intensities for CH3OH are consistent with upper limits determined towards all sources. Our models suggest CH3OH should be readily observable in nearby protoplanetary disks with ALMA; however, detection of more complex species may prove challenging. Our grain-surface abundances are consistent with those derived from cometary comae observations providing additional evidence for the hypothesis that comets (and other planetesimals) formed via the coagulation of icy grains in the Sun's natal disk.

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