arXiv subjects

Luke Keyte

Publications and source records attributed to Luke Keyte.

17 recordsLinked to original sources

arXiv2026

A parametric model for externally irradiated protoplanetary disks with photoevaporative winds

Protoplanetary disks in massive star-forming regions may be exposed to ultraviolet radiation fields orders of magnitude stronger than the interstellar background. This intense radiation drives photoevaporative winds that fundamentally shape disk evolution and chemistry. However, full radiation hydrodynamic simulations of these systems remain computationally expensive, preventing systematic exploration of the parameter space. We present a parametric framework for efficiently generating density structures of externally irradiated protoplanetary disks with photoevaporative winds. Our approach implements a spherically diverging wind configuration with smooth transitions between the disk interior, the FUV-heated surface layer, and the wind itself. We validate this framework extensively against the FRIED grid of hydrodynamical simulations, demonstrating accurate reproduction of density structures across stellar masses from 0.3 to 3.0 M_sun, disk radii from 20 to 150 au, and external FUV fields from 100 to 100,000 G0. The complete framework is available as 'PUFFIN', a Python package that generates full 1D or 2D density structures in seconds to minutes, compared to weeks or months for equivalent hydrodynamical calculations. We demonstrate the scientific utility of this approach by modelling CO chemistry across a comprehensive parameter grid, using our density structures as inputs to thermochemical calculations. Our results show that external FUV irradiation significantly enhances CO gas-phase abundances through indirect heating mechanisms, which raise midplane temperatures and enhance thermal desorption of CO ice. This effect is strongest in the outer disk and scales with both external field strength and disk mass, with important implications for volatile budgets available to forming planets in clustered environments.

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arXiv2025

SIMBA: A Python-based single-point astrochemical solver and analysis tool

Determining molecular abundances in astrophysical environments is crucial for interpreting observational data and constraining physical conditions in these regions. Chemical modelling tools are essential for simulating the complex processes that govern molecular evolution. We present SIMBA, a new Python-based single-point astrochemical modelling package designed to solve chemical reaction networks across diverse astrophysical environments. The software follows standardised rate equation approaches to evolve molecular abundances under specified physical conditions, incorporating gas-phase chemistry, grain-surface processes, and photochemistry. While leveraging Python for accessibility, performance-critical routines utilise just-in-time compilation to achieve computational efficiency suitable for research applications. A key feature of SIMBA is its graphical interface, which enables rapid investigation of chemical evolution under varying physical conditions. This makes it particularly valuable for exploring parameter dependencies and complementing more computationally intensive multi-dimensional models. We demonstrate the package's capabilities by modelling chemical evolution in a photoevaporative flow driven by external FUV irradiation. Using simplified gas dynamics, we chain multiple SIMBA instances to create a dynamic 1D model where gas evolves both chemically and dynamically. Comparing this approach to typical static models - where chemistry in each grid cell evolves independently - reveals that molecular ices, especially those with relatively high binding energies like H2O, can survive much farther into the flow than static models predict. This example case highlights how SIMBA can be extended to higher dimensions for investigating complex chemical processes. The package is open-source and includes comprehensive documentation.

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arXiv2025

Refractory phosphorus in the HD 100546 protoplanetary disk

The phosphorus budget of planets is intertwined with their formation history and is thought to influence their habitability. The chemical reservoirs and volatile \emph{vs} refractory budget of phosphorus in planet-forming environments have so far eluded empirical characterisation. We employ high-resolution spectra from HST/STIS in the ultraviolet and APEX in the sub-mm to constrain the phosphorus budget in the well-characterized HD\,100546 star and protoplanetary disk system. We measure $\log{(P/H)_{\star}}=-7.50^{+0.23}_{-0.28}$ on the stellar surface, which traces the total inventory of P in accreting gas \emph{and }dust from the inner disk. The inner disk gas, inside of the main dust trap, has $\log{(P/H)_{\rm in}}\lesssim-8.70$, and the outer disk gas $\log{(P/H)_{\rm out}}\lesssim-9.30$. Phosphorus in the disk is carried by a relatively refractory reservoir, consistent with minerals such as apatite or schreibersite, or with ammonium phosphate salts, in terms of sublimation temperature. We discuss the impact this might have on the two protoplanets around HD\,100546. Our results contribute to our understanding of the chemical habitability of planetary systems and lay a foundation for future explorations, especially in the context of JWST and \emph{Ariel} which can study phosphorus in exoplanet atmospheres.

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arXiv2025

The past, present and future of observations of externally irradiated disks

Recent years have seen a surge of interest in the community studying the effect of ultraviolet radiation environment, predominantly set by OB stars, on protoplanetary disc evolution and planet formation. This is important because a significant fraction of planetary systems, potentially including our own, formed in close proximity to OB stars. This is a rapidly developing field, with a broad range of observations across many regions recently obtained or recently scheduled. In this paper, stimulated by a series of workshops on the topic, we take stock of the current and upcoming observations. We discuss how the community can build on this recent success with future observations to make progress in answering the big questions of the field, with the broad goal of disentangling how external photoevaporation contributes to shaping the observed (exo)planet population. Both existing and future instruments offer numerous opportunities to make progress towards this goal.

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arXiv2025

ALMA reveals thermal and non-thermal desorption of methanol ice in the HD 100546 protoplanetary disk

Methanol (CH$_3$OH) and formaldehyde (H$_2$CO) are chemically coupled organic molecules proposed to act as an intermediate step between simple molecules and more complex prebiotic compounds. Their abundance distributions across disks regulate the prebiotic potential of material at different disk radii. We present observations of multiple methanol and formaldehyde transitions toward the Herbig Ae disk HD 100546 obtained with ALMA, building upon the previous serendipitous detection of methanol in this source. We find that methanol has a higher rotational temperature ($T_\mathrm{rot}$) than formaldehyde towards both the centrally concentrated emission component in the inner disk ($0-110$ au) and a radially separate dust ring farther out in the disk ($180-260$ au). $T_\mathrm{rot}$ decreases for methanol and formaldehyde from the inner ($152^{+35}_{-27}$ K and $76^{+9}_{-8}$ K) to the outer disk ($52^{+8}_{-6}$ K and $31^{+2}_{-2}$ K), suggesting that we are tracing two different chemical environments. $T_\mathrm{rot}$ for both species in the inner disk is consistent with thermal desorption as the origin, while the outer disk reservoir is driven by non-thermal desorption. The CH$_3$OH/H$_2$CO column density ratio decreases from $14.6^{+5.2}_{-4.6}$ in the inner disk to $1.3^{+0.3}_{-0.2}$ in the outer disk, consistent with modelling predictions. The CH$_3$OH/H$_2$CO column density ratio for the inner disk is consistent with the median value in the range of column density ratios compiled from Solar System comets which would have formed at a similar distance. This supports the notion that interstellar ice is inherited and preserved by protoplanetary disks around solar-mass and intermediate-mass stars as we are seeing 'fresh' ice sublimation, as well as providing more evidence for the presence of prebiotic precursor molecules in planet-forming regions.

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arXiv2025

Impact of photoevaporative winds in chemical models of externally irradiated protoplanetary disks

Most stars form in dense clusters within high-mass star-forming regions, where protoplanetary disks may be exposed to intense UV radiation from nearby massive stars. While previous studies have typically focused on isolated sources in low-mass regions, recent observational campaigns have started to probe the chemistry of irradiated disks in unprecedented detail. Interpreting this data requires complex chemical models, yet few studies have examined these disks' chemistry, and none have incorporated the photoevaporative wind launched by external UV fields into their physical structure. In this study, we post-process radiation hydrodynamics simulations of externally irradiated protoplanetary disks using the thermochemical code DALI, comparing models with and without the wind to assess its impact on disk chemistry. Results show that UV radiation is rapidly attenuated by the disk in both cases. However, thermal re-emission from the wind at longer wavelengths enhances disk heating, increasing the gas-phase abundances of some key volatiles. Synthetic line fluxes vary by orders of magnitude between wind and windless models, primarily due to emission from the wind itself rather than abundance variations within the disk. Our findings demonstrate that the photoevaporative wind significantly influences the physical and chemical structure, and observational characteristics, of externally irradiated disks. We conclude that incorporating the wind into chemical models is essential for accurately predicting chemical abundances, interpreting observations, and ultimately understanding planet formation in these common yet complex environments.

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arXiv2024

Characterising the molecular line emission in the asymmetric Oph-IRS 48 dust trap: Temperatures, timescales, and sub-thermal excitation

The ongoing physical and chemical processes in planet-forming disks set the stage for planet formation. The asymmetric disk around the young star Oph-IRS 48 has one of the most well-characterised chemical inventories, showing molecular emission from a wide variety of species at the dust trap. One of the explanations for the asymmetric structure is dust trapping by a perturbation-induced vortex. We aim to constrain the excitation properties of the molecular species SO$_2$, CH$_3$OH, and H$_2$CO. We further characterise the extent of the molecular emission, through the determination of important physical and chemical timescales at the location of the dust trap. We also investigate whether the potential vortex can influence the observable temperature structure of the gas. Through a pixel-by-pixel rotational diagram analysis, we create rotational temperature and column density maps for SO$_2$ and CH$_3$OH, while temperature maps for H$_2$CO are created using line ratios. We find temperatures of $T\sim$55 K and $T\sim$125 K for SO$_2$ and CH$_3$OH, respectively, while the line ratios point towards temperatures of T$\sim$150-300 K for H$_2$CO. The rotational diagram of CH$_3$OH is dominated by scatter and subsequent non-LTE RADEX calculations suggest that both CH$_3$OH and H$_2$CO must be sub-thermally excited. The temperatures suggest that SO$_2$ comes from a layer deep in the disk, while CH$_3$OH and H$_2$CO originate from a higher layer. While a potential radial gradient is seen in the temperature map of SO$_2$, we do not find any hints of a vortex influencing the temperature structure. The determined turbulent mixing timescale is not able to explain the emitting heights of the molecules, but the photodissociation timescales are able to explain the wider azimuthal extents of SO$_2$ and H$_2$CO compared to CH$_3$OH, where a secondary, gas-phase formation reservoir is required for H$_2$CO.

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arXiv2024

Volatile composition of the HD 169142 disk and its embedded planet

The composition of a planet's atmosphere is intricately linked to the chemical makeup of the protoplanetary disk in which it formed. Determining the elemental abundances from key volatiles within disks is therefore essential for establishing connections between the composition of disks and planets. The disk around the Herbig Ae star HD 169142 is a compelling target for such a study due to its molecule-rich nature and the presence of a newly-forming planet between two prominent dust rings. In this work, we probe the chemistry of the HD 169142 disk at small spatial scales, drawing links between the composition of the disk and the planet-accreted gas. Using thermochemical models and archival data, we constrain the elemental abundances of volatile carbon, oxygen, and sulfur. Carbon and oxygen are only moderately depleted from the gas phase relative to their interstellar abundances, with the inner 60 au appearing enriched in volatile oxygen. The C/O ratio is approximately solar within the inner disk and rises above this in the outer disk, as expected across the H2O snowline. The gas-phase sulfur abundance is depleted by a factor of 1000, consistent with a number of other protoplanetary disks. Interestingly, the observed SiS emission near the HD 169142 b protoplanet vastly exceeds chemical model predictions, supporting previous hypotheses suggesting its origin in shocked gas or a localised outflow. We contextualise our findings in terms of the potential atmospheric composition of the embedded planet, and highlight the utility of sulfur-bearing molecules as probes of protoplanetary disk chemistry.

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arXiv2024

Measuring the $\mathrm{^{34}S}$ and $\mathrm{^{33}S}$ isotopic ratios of volatile sulfur during planet formation

Stable isotopic ratios constitute powerful tools for unraveling the thermal and irradiation history of volatiles. In particular, we can use our knowledge of the isotopic fractionation processes active during the various stages of star, disk and planet formation to infer the origins of different volatiles with measured isotopic patterns in our own solar system. Observations of planet-forming disks with the Atacama Large Millimeter/submillimeter Array (ALMA) now readily detect the heavier isotopologues of C, O and N, while the isotopologue abundances and isotopic fractionation mechanisms of sulfur species are less well understood. Using ALMA observations of the SO and SO2 isotopologues in the nearby, molecule-rich disk around the young star Oph-IRS 48 we present the first constraints on the combined 32S/34S and 32S/33S isotope ratios in a planet-forming disk. Given that these isotopologues likely originate in relatively warm gas (>50 K), like most other Oph-IRS 48 volatiles, SO is depleted in heavy sulfur while SO2 is enriched compared to solar system values. However, we cannot completely rule out a cooler gas reservoir, which would put the SO sulfur ratios more in line with comets and other solar system bodies. We also constrain the S18O/SO ratio and find the limit to be consistent with solar system values given a temperature of 60 K. Together these observations show that we should not assume solar isotopic values for disk sulfur reservoirs, but additional observations are needed to determine the chemical origin of the abundant SO in this disk, inform on what isotopic fractionation mechanism(s) are at play, and aid in unravelling the history of the sulfur budget during the different stages of planet formation.

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arXiv2024

Constraints on the gas-phase C/O ratio of DR Tau's outer disk from CS, SO, and C$_2$H observations

Millimeter wavelength observations of Class II protoplanetary disks often display strong emission from hydrocarbons and high CS/SO values, providing evidence that the gas-phase C/O ratio commonly exceeds 1 in their outer regions. We present new NOEMA observations of CS $5-4$, SO $7_6-6_5$ and $5_6-4_5$, C$_2$H $N=3-2$, HCN $3-2$, HCO$^+$ $3-2$, and H$^{13}$CO$^+$ $3-2$ in the DR Tau protoplanetary disk at a resolution of $\sim0.4''$ (80 au). Estimates for the disk-averaged CS/SO ratio range from $\sim0.4-0.5$, the lowest value reported thus far for a T Tauri disk. At a projected separation of $\sim180$ au northeast of the star, the SO moment maps exhibit a clump that has no counterpart in the other lines, and the CS/SO value decreases to $<0.2$ at its location. Thermochemical models calculated with DALI indicate that DR Tau's low CS/SO ratio and faint C$_2$H emission can be explained by a gas-phase C/O ratio that is $<1$ at the disk radii traced by NOEMA. Comparisons of DR Tau's SO emission to maps of extended structures traced by $^{13}$CO suggest that late infall may contribute to driving down the gas-phase C/O ratio of its disk.

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arXiv2024

An ALMA molecular inventory of warm Herbig Ae disks: I. Molecular rings, asymmetries and complexity in the HD 100546 disk

Observations of disks with the Atacama Large Millimeter/submillimeter Array (ALMA) allow us to map the chemical makeup of nearby protoplanetary disks with unprecedented spatial resolution and sensitivity. The typical outer Class II disk observed with ALMA is one with an elevated C/O ratio and a lack of oxygen-bearing complex organic molecules, but there are now some interesting exceptions: three transition disks around Herbig Ae stars all show oxygen-rich gas traced via the unique detections of the molecules SO and CH3OH. We present the first results of an ALMA line survey at 337 to 357 GHz of such disks and focus this paper on the first Herbig Ae disk to exhibit this chemical signature - HD 100546. In these data, we detect 19 different molecules including NO, SO and CH3OCHO (methyl formate). We also make the first tentative detections of H213CO and 34SO in protoplanetary disks. Multiple molecular species are detected in rings, which are, surprisingly, all peaking just beyond the underlying millimeter continuum ring at 200 au. This result demonstrates a clear connection between the large dust distribution and the chemistry in this flat outer disk. We discuss the physical and/or chemical origin of these sub-structures in relation to ongoing planet formation in the HD 100546 disk. We also investigate how similar and/or different the molecular make up of this disk is to other chemically well-characterised Herbig Ae disks. The line-rich data we present motivates the need for more ALMA line surveys to probe the observable chemistry in Herbig Ae systems which offer unique insight into the composition of disk ices, including complex organic molecules.

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arXiv2024

An ALMA molecular inventory of warm Herbig Ae disks: II. Abundant complex organics and volatile sulphur in the IRS 48 disk

The Atacama Large Millimeter/submillimeter Array (ALMA) can probe the molecular content of planet-forming disks with unprecedented sensitivity. These observations allow us to build up an inventory of the volatiles available for forming planets and comets. Herbig Ae transition disks are fruitful targets due to the thermal sublimation of complex organic molecule (COM) and likely H2O-rich ices in these disks. The IRS 48 disk shows a particularly rich chemistry that can be directly linked to its asymmetric dust trap. Here, we present ALMA observations of the IRS 48 disk where we detect 16 different molecules and make the first robust detections of H213CO, 34SO, 33SO and c-H2COCH2 (ethylene oxide) in a protoplanetary disk. All of the molecular emissions, aside from CO, are colocated with the dust trap and this includes newly detected simple molecules such as HCO+, HCN and CS. Interestingly, there are spatial offsets between different molecular families, including between the COMs and sulphur-bearing species, with the latter being more azimuthally extended and located radially further from the star. The abundances of the newly detected COMs relative to CH3OH are higher than the expected protostellar ratios, which implies some degree of chemical processing of the inherited ices during the disk lifetime. These data highlight IRS 48 as a unique astrochemical laboratory to unravel the full volatile reservoir at the epoch of planet and comet formation and the role of the disk in (re)setting chemical complexity.

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arXiv2023

Spatially resolving the volatile sulfur abundance in the HD 100546 protoplanetary disk

Volatile elements play a crucial role in the formation of planetary systems. Their abundance and distribution in protoplanetary disks provide vital insights into the connection between formation processes and the atmospheric composition of individual planets. Sulfur, being one of the most abundant elements in planet-forming environments, is of great significance, and now observable in exoplanets with JWST. However, planetary formation models currently lack vital knowledge regarding sulfur chemistry in protoplanetary disks. Developing a deeper understanding of the major volatile sulfur carriers in disks is essential to building models that can meaningfully predict planetary atmospheric composition, and reconstruct planetary formation pathways. In this work, we combine archival observations with new data from ALMA and APEX, covering a range of sulfur-bearing species/isotopologs. We interpret this data using the DALI thermo-chemical code, for which our model is highly refined and disk-specific. We find that volatile sulfur is heavily depleted from the cosmic value by a factor of 1000, with a disk-averaged abundance of S/H = 1e-8. We show that the gas-phase sulfur abundance varies radially by 3 orders of magnitude, with the highest abundances inside the inner dust ring and coincident with the outer dust ring at 150 to 230 au. Extracting chemical abundances from our models, we find OCS, H2CS, and CS to be the dominant molecular carriers in the gas phase. We also infer the presence of a substantial OCS ice reservoir. We relate our results to the potential atmospheric composition of planets in HD 100546, and the wider exoplanet population

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arXiv2023

Planet Gap-opening Feedback on Disk Thermal Structure and Composition

(Exo-)planets inherit their budget of chemical elements from a protoplanetary disk. The disk temperature determines the phase of each chemical species, which sets the composition of solids and gas available for planet formation. We investigate how gap structures, which are widely seen by recent disk observations, alter the thermal and chemical structure of a disk. Planet-disk interaction is a leading hypothesis of gap formation and so such changes could present a feedback that planets have on planet-forming material. Both the planet gap-opening process and the disk thermal structure are well studied individually, but how the gap-opening process affects disk thermal structure evolution remains an open question. We develop a new modelling method by iterating hydrodynamical and radiative transfer simulations to explore the gap-opening feedback on disk thermal structure. We carry out parameter studies by considering different planet locations rp and planet masses Mp. We find that for the same rp and Mp, our iteration method predicts a wider and deeper gap than the non-iteration method. We also find that the inner disk and gap temperature from the iteration method can vary strongly from the non-iteration or disk without planets, which can further influence dust-trap conditions, iceline locations, and distribution of various ices, such as H2O, CO2, and CO on large dust grains ("pebbles"). Through that, a gap-opening planet can complicate the canonical picture of the non-planet disk C/O ratio and influence the composition of the next generation of planetesimals and planets.

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arXiv2023

Azimuthal C/O Variations in a Planet-Forming Disk

The elemental carbon-to-oxygen ratio (C/O) in the atmosphere of a giant planet is a promising diagnostic of that planet's formation history in a protoplanetary disk. Alongside efforts in the exoplanet community to measure C/O in planetary atmospheres, observational and theoretical studies of disks are increasingly focused on understanding how the gas-phase C/O varies both with radial location and between disks. This is mostly tied to the icelines of major volatile carriers such as CO and H2O. Using ALMA observations of CS and SO, we have unearthed evidence for an entirely novel type of C/O variation in the protoplanetary disk around HD 100546: an azimuthal variation from a typical, oxygen-dominated ratio (C/O=0.5) to a carbon-dominated ratio (C/O>1.0). We show that the spatial distribution and peculiar line kinematics of both CS and SO molecules can be well-explained by azimuthal variations in the C/O ratio. We propose a shadowing mechanism that could lead to such a chemical dichotomy. Our results imply that tracing the formation history of giant exoplanets using their atmospheric C/O ratios will need to take into account time-dependent azimuthal C/O variations in a planet's accretion zone.

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arXiv2022

Sulphur monoxide emission tracing an embedded planet in the HD 100546 protoplanetary disk

Molecular line observations are powerful tracers of the physical and chemical conditions across the different evolutionary stages of star, disk and planet formation. Using the high angular resolution and unprecedented sensitivity of the Atacama Large Millimeter Array (ALMA) there is now a drive to detect small-scale gas structures in protoplanetary disks that can be attributed directly to forming planets. We report high angular resolution ALMA Band 7 observations of sulphur monoxide (SO) in the nearby planet-hosting disk around Herbig star HD 100546. SO is rarely detected in evolved protoplanetary disks but in other environments, it is most often utilised as a tracer of shocks. The SO emission from the HD 100546 disk is primarily originating from gas within the approx. 20 au mm-dust cavity and shows a clear azimuthal brightness asymmetry of a factor of 2. In addition, we see a significant difference in the line profile shape when comparing these new Cycle 7 data to Cycle 0 data of the same SO transitions. We discuss the different physical/chemical mechanisms that could be responsible for this asymmetry and time variability including disk winds, disk warps, and a shock triggered by a (forming) planet. We propose that the SO is enhanced in the cavity due to the presence of a giant planet. The SO asymmetry complements evidence for hot circumplanetary material around the giant planet HD 100546 c traced via CO ro-vibrational emission. This work sets the stage for further observational and modelling efforts to detect and understand the chemical imprint of a forming planet on its parent disk.

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arXiv2019

Impact of planetary mass uncertainties on exoplanet atmospheric retrievals

In current models used to interpret exoplanet atmospheric observations, the planet mass is treated as a prior and is estimated independently with external methods, such as RV or TTV techniques. This approach is necessary as available spectroscopic data do not have sufficient wavelength coverage and/or SNR to infer the planetary mass. We examine here the impact of mass uncertainties on spectral retrieval analyses for a host of atmospheric scenarios. Our approach is both analytical and numerical: we first use simple approximations to extract analytically the influence of each parameter to the wavelength-dependent transit depth. We then adopt a fully Bayesian retrieval model to quantify the propagation of the mass uncertainty onto other atmospheric parameters. We found that for clear-sky, gaseous atmospheres the posterior distributions are the same when the mass is known or retrieved. The retrieved mass is very accurate, with a precision of more than 10%, provided the wavelength coverage and S/N are adequate. When opaque clouds are included in the simulations, the uncertainties in the retrieved mass increase, especially for high altitude clouds. However atmospheric parameters such as the temperature and trace-gas abundances are unaffected by the knowledge of the mass. Secondary atmospheres are more challenging due to the higher degree of freedom for the atmospheric main component, which is unknown. For broad wavelength range and adequate SNR, the mass can still be retrieved accurately and precisely if clouds are not present, and so are all the other atmospheric/planetary parameters. When clouds are added, we find that the mass uncertainties may impact substantially the retrieval of the mean molecular weight: an independent characterisation of the mass would therefore be helpful to capture/confirm the main atmospheric constituent.

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