The Effect of 3D Transport-Induced Disequilibrium Carbon Chemistry on the Atmospheric Structure and Phase Curves and Emission Spectra of Hot Jupiter HD 189733b
Maria E Steinrueck, Vivien Parmentier, Adam P Showman, Joshua D Lothringer, Roxana E Lupu
备注：
28 pages, 12 figures; accepted for publication in ApJ. Key changes since v1: updated introduction and discussion to include recent literature more thoroughly; added paragraph and figure to clarify change in water abundance; ran simulations for additional 600 days simulation time (leading to small quantitative changes in some figures but no qualitative changes)
On hot Jupiter exoplanets, strong horizontal and vertical winds should homogenize the abundances of the important absorbers CH$_4$ and CO much faster than chemical reactions restore chemical equilibrium. This effect, typically neglected in general circulation models (GCMs), has been suggested as explanation for discrepancies between observed infrared lightcurves and those predicted by GCMs: On the nightsides of several hot Jupiters, GCMs predict outgoing fluxes that are too large, especially in the Spitzer 4.5 $μ$m band. We modified the SPARC/MITgcm to include disequilibrium abundances of CH$_4$, CO and H$_2$O by assuming that the CH$_4$/CO ratio is constant throughout the simulation domain. We ran simulations of hot Jupiter HD 189733b with 8 CH$_4$/CO ratios. In the more likely CO-dominated regime, we find temperature changes $\geq$50-100 K compared to the equilibrium chemistry case across large regions. This effect is large enough to affect predicted emission spectra and should thus be included in GCMs of hot Jupiters with equilibrium temperatures between 600K and 1300K. We find that spectra in regions with strong methane absorption, including the Spitzer 3.6 and 8 $μ$m bands, are strongly impacted by disequilibrium abundances. We expect chemical quenching to result in much larger nightside fluxes in the 3.6 $μ$m band, in stark contrast to observations. Meanwhile, we find almost no effect on predicted observations in the 4.5 $μ$m band, as the opacity changes due to CO and H$_2$O offset each other. We thus conclude that disequilibrium carbon chemistry cannot explain the observed low nightside fluxes in the 4.5 $μ$m band.
Disequilibrium species have been used previously to probe the deep water abundances and the eddy diffusion coefficient for giant planets. In this paper, we present a diffusion-kinetics code that predicts the abundances of disequilibrium species in the tropospheres of Jupiter and Saturn with updated thermodynamic and kinetic data. The dependence on the deep water abundance and the eddy diffusion coefficient is investigated. We quantified the disagreements in CO kinetics that comes from using different reaction networks and identified C$_2$H$_6$ as a useful tracer for the eddy diffusion coeffici…
The bulk water abundance on Jupiter potentially constrains the planet's formation conditions. We improve the chemical constraints on Jupiter's deep water abundance in this paper. The eddy diffusion coefficient is used to model vertical mixing in planetary atmosphere, and based on laboratory studies dedicated to turbulent rotating convection, we propose a new formulation of the eddy diffusion coefficient for the troposphere of giant planets. The new formulation predicts a smooth transition from the slow rotation regime (near the equator) to the rapid rotation regime (near the pole). We estimate…
Jupiter's tropospheric composition is studied using high resolution spatially-resolved 5-micron observation from the CRIRES instrument at the Very Large Telescope. The high resolving power (R=96,000) allows us to spectrally resolve the line shapes of individual molecular species in Jupiter's troposphere and, by aligning the slit north-south along Jupiter's central meridian, we are able to search for any latitudinal variability. Despite the high spectral resolution, we find that there are significant degeneracies between the cloud structure and aerosol scattering properties that complicate the …
The retrieval approach is currently a standard method for deriving atmospheric properties from observed spectra of exoplanets. However, the approach ignores disequilibrium chemistry in most current retrieval codes, which can lead to misinterpretation of the metallicity or elemental abundance ratios of the atmosphere. We have implemented the disequilibrium effect of vertical mixing or quenching for the major species in hydrogen/helium-dominated atmospheres, namely $\mathrm{CH_4}$, $\mathrm{CO}$, $\mathrm{H_2O}$, $\mathrm{NH_3}$, $\mathrm{N_2}$, and $\mathrm{CO_2}$, for the spectral retrieval co…
We aim to see if the difference between equilibrium and disequilibrium chemistry is observable in the atmospheres of transiting planets by the James Webb Space Telescope (JWST). We perform a case study comparing the dayside emission spectra of three planets like HD 189733b, WASP-80b, and GJ436b, in and out of chemical equilibrium at two metallicities each. These three planets were chosen because they span a large range of planetary masses and equilibrium temperatures, from hot and Jupiter-sized to warm and Neptune-sized. We link the one-dimensional disequilibrium chemistry model from Venot et …
The atmospheres of ultra-hot Jupiters are commonly considered to be at thermochemical equilibrium. We aim to provide disequilibrium chemistry maps for a global understanding of the chemistry in HAT-P-7b's atmosphere and assess the importance of disequilibrium chemistry on UHJs. We apply a hierarchical modelling approach utilising 97 1D atmospheric profiles from 3D GCM of HAT-P-7b. For each 1D profile, we evaluate our kinetic cloud formation model consistently with the local gas-phase composition in chemical equilibrium. We then evaluate quenching results from a zeroth-order approximation in co…
In this work we study the effect of disequilibrium processes on mixing ratio profiles of neutral species and on the simulated spectra of a hot Jupiter exoplanet that orbits stars of different spectral types. We also address the impact of stellar activity that should be present to a different degree in all stars with convective envelopes. We used the VULCAN chemical kinetic code to compute number densities of species. The temperature-pressure profile of the atmosphere was computed with the HELIOS code. We also utilized the $τ$-ReX forward model to predict the spectra of planets in primary and s…
We have developed 1-D photochemical and thermochemical kinetics and diffusion models for the transiting exoplanets HD 189733b and HD 209458b to study the effects of disequilibrium chemistry on the atmospheric composition of "hot Jupiters." Here we investigate the coupled chemistry of neutral carbon, hydrogen, oxygen, and nitrogen species, and we compare the model results with existing transit and eclipse observations. We find that the vertical profiles of molecular constituents are significantly affected by transport-induced quenching and photochemistry, particularly on cooler HD 189733b; howe…
Disequilibrium chemical processes have a large effect upon the spectra of substellar objects. To study these effects, dynamical disequilibrium has been parameterized using the quench and eddy diffusion approximations, but little work has been done to explore how these approximations perform under realistic planetary conditions in different dynamical regimes. As a first step in addressing this problem, we study the localized, small scale convective dynamics of planetary atmospheres by direct numerical simulation of fully compressible hydrodynamics with reactive tracers using the Dedalus code. U…
[Abridged] Aims. We present a large atmospheric study of 49 gas giant exoplanets using infrared transmission photometry with Spitzer/IRAC at 3.6 and 4.5um. Methods. We uniformly analyze 70 photometric light curves of 33 transiting planets using our custom pipeline, which implements pixel level decorrelation. We use this survey to understand how infrared photometry traces changes in atmospheric chemical properties as a function of planetary temperature. We compare our measurements to a grid of 1D radiative-convective equilibrium forward atmospheric models which include disequilibrium chemistry.…
Spectral features in the observed spectra of exoplanets depend on the composition of their atmospheres. A good knowledge of the main atmospheric processes that drive the chemical distribution is therefore essential to interpret exoplanetary spectra. An atmosphere reaches chemical equilibrium if the rates of the forward and backward chemical reactions converge to the same value. However, there are atmospheric processes, such as atmospheric transport, that destabilize this equilibrium. In this work we study the changes in composition driven by a 3D wind field in WASP-43b using our Global Circula…
Cold brown dwarfs are excellent analogs of widely separated, gas giant exoplanets, and provide insight into the potential atmospheric chemistry and physics we may encounter in objects discovered by future direct imaging surveys. We present a low resolution R $\sim$ 300 $M$-band spectroscopic sequence of seven brown dwarfs with effective temperatures between 750 K and 250 K along with Jupiter. These spectra reveal disequilibrium abundances of carbon monoxide (CO) produced by atmospheric quenching. We use the eddy diffusion coefficient (K$_{zz}$) to estimate the strength of vertical mixing in ea…
The past decade has seen significant progress on the direct detection and characterization of young, self-luminous giant planets at wide orbital separations from their host stars. Some of these planets show evidence for disequilibrium processes like transport-induced quenching in their atmospheres; photochemistry may also be important, despite the large orbital distances. These disequilibrium chemical processes can alter the expected composition, spectral behavior, thermal structure, and cooling history of the planets, and can potentially confuse determinations of bulk elemental ratios, which …
Chemical disequilibrium has recently become a relevant topic in the study of the atmospheres of of transiting extrasolar planets, brown dwarfs, and directly imaged exoplanets. We present a new way of assessing whether or not a Jovian-like atmosphere is in chemical disequilibrium from observations of detectable or inferred gases such as H$_2$O, CH$_4$, CO, and H$_2$. Our hypothesis, based on previous kinetic modeling studies, is that cooler atmospheres will show stronger signs of disequilibrium than hotter atmospheres. We verify this with chemistry-transport models and show that planets with te…
Clouds are ubiquitous in exoplanet atmospheres and represent a challenge for the model interpretation of their spectra. Complex cloud models are too numerically costly for generating a large number of spectra, while more efficient models may be too strongly simplified. We aim to constrain the atmospheric properties of the directly imaged planet HR 8799e with a free retrieval approach. We use our radiative transfer code petitRADTRANS for generating spectra, which we couple to the PyMultiNest tool. We added the effect of multiple scattering which is important for treating clouds. Two cloud model…
Motivated by recent spectroscopic evidence for carbon-rich atmospheres on some transiting exoplanets, we investigate the influence of the C/O ratio on the chemistry, composition, and spectra of extrasolar giant planets both from a thermochemical-equilibrium perspective and from consideration of disequilibrium processes like photochemistry and transport-induced quenching. We find that although CO is predicted to be a major atmospheric constituent on hot Jupiters for all C/O ratios, other oxygen-bearing molecules like H2O and CO2 are much more abundant when C/O < 1, whereas CH4, HCN, and C2H2 ga…
Exoplanet and brown dwarf atmospheres commonly show signs of disequilibrium chemistry. In the James Webb Space Telescope era high resolution spectra of directly imaged exoplanets will allow the characterization of their atmospheres in more detail, and allow systematic tests for the presence of chemical species that deviate from thermochemical equilibrium in these atmospheres. Constraining the presence of disequilibrium chemistry in these atmospheres as a function of parameters such as their effective temperature and surface gravity will allow us to place better constrains in the physics govern…
Evidence of disequilibrium chemistry due to vertical mixing in the atmospheres of many T and Y-dwarfs has been inferred due to enhanced mixing ratios of CO and reduced NH$_3$. Atmospheric models of planets and brown dwarfs typically parameterize this vertical mixing phenomenon with the vertical eddy diffusion coefficient, $K_{\rm zz}$. While $K_{\rm zz}$ can perhaps be approximated in the convective regions in the atmosphere with mixing length theory, in radiative regions the strength of vertical mixing is uncertain by many orders of magnitude. With a new grid of self-consistent 1D model atmos…
Comparatively little is known about atmospheric chemistry on Uranus and Neptune, because remote spectral observations of these cold, distant ``Ice Giants'' are challenging, and each planet has only been visited by a single spacecraft during brief flybys in the 1980s. Thermochemical equilibrium is expected to control the composition in the deeper, hotter regions of the atmosphere on both planets, but disequilibrium chemical processes such as transport-induced quenching and photochemistry alter the composition in the upper atmospheric regions that can be probed remotely. Surprising disparities i…
Inferences of molecular compositions of exoplanetary atmospheres have generally focused on C, H, and O-bearing molecules. Recently, additional absorption in HST WFC3 transmission spectra around 1.55$μ$m has been attributed to nitrogen-bearing chemical species: NH$_3$ or HCN. These species, if present in significant abundance, would be strong indicators of disequilibrium chemical processes -- e.g. vertical mixing and photochemistry. The derived N abundance, in turn, could also place important constraints on planetary formation mechanisms. Here, we examine the detectability of nitrogen chemistry…
We use a 1D thermochemical and photochemical kinetics model to predict the disequilibrium stratospheric chemistries of warm and hot Jupiters (800 < T < 1200 K). Thermal chemistry and vertical mixing are generally more important than photochemistry. At 1200 K, methane is oxidized to CO and CO2 by OH radicals from thermal decomposition of water. At T < 1000 K, methane is reactive but stable enough to reach the stratosphere, while water is stable enough that OH levels are suppressed by reaction with H2. These trends raise the effective C/O ratio in the reacting gases above unity. Reduced products…
Secondary eclipse observations of hot Jupiters can reveal both their compositions and thermal structures. Previous observations have shown a diversity of hot Jupiter eclipse spectra, including absorption features, emission features, and featureless blackbody-like spectra. We present a secondary eclipse spectrum of the hot Jupiter WASP-77Ab observed between $1-5$ $μ$m with the Hubble Space Telescope (HST) and the Spitzer Space Telescope. The HST observations show signs of water absorption indicative of a non-inverted thermal structure. We fit the data with both a one-dimensional free retrieval …
Hydrogen cyanide (HCN) is a critical reactive source of nitrogen for building key biomolecules relevant for the origin of life. Still, many HCN reactions remain uncharacterized by experiments and theory, and the complete picture of HCN production in planetary atmospheres is not fully understood. To improve this situation, we develop a novel technique making use of computational quantum chemistry, experimental data, and atmospheric numerical simulations. First, we use quantum chemistry simulations to explore the entire field of possible reactions for a list of primary species in N2-, CH4-, and …
We present a study of photochemical hazes of exoplanet atmospheres based on a self-consistent model including haze microphysics, disequilibrium chemistry, and radiative feedbacks. We derive the haze properties required to match HST observations of ten hot-Jupiters. HAT-P-12b, HD-189733b, HD-209458b and WASP-6b require haze mass fluxes between 5x10$^{-15}$ and 9x10$^{-12} g.cm^{-2}.s^{-1}$ to match the observations. WASP-12b and WASP-19b with equilibrium temperatures above 2000 K are incompatible with the presence of haze and are better fitted by heavy metals. HAT-P-1b and WASP-31b do not show …
We present results from a set of simulations using a fully coupled three-dimensional (3D) chemistry-radiation-hydrodynamics model and investigate the effect of transport of chemical species by the large-scale atmospheric flow in hot Jupiter atmospheres. We couple a flexible chemical kinetics scheme to the Met Office Unified Model which enables the study of the interaction of chemistry, radiative transfer and fluid dynamics. We use a newly-released "reduced" chemical network comprising 30 chemical species that has been specifically developed for application in 3D atmosphere models. We simulate …
Contrasting C/O ratios in Uranus and Neptune from disequilibrium chemistry: A clue to distinct evolutionary pathways?
Aix-Marseille Université（艾克斯-马赛大学）；Southwest Research Institute（西南研究院）；Laboratoire d’Astrophysique de Bordeaux, Univ. Bordeaux（波尔多大学天体物理实验室）；Observatoire de Paris, Université PSL, CNRS, Sorbonne Université, Université Paris Cité（巴黎天文台、巴黎文理研究大学、法国国家科学研究中心、索邦大学、巴黎西岱大学）；University of Science and Technology of China（中国科学技术大学）；Dublin Institute for Advanced Studies（都柏林高等研究所）；Space Science Institute（空间科学研究所）
Aerosols appear to be ubiquitous in close-in gas giant atmospheres, and disequilibrium chemistry likely impacts the emergent spectra of these planets. Lofted aerosols and disequilibrium chemistry are caused by vigorous vertical transport in these heavily irradiated atmospheres. Here we numerically and analytically investigate how vertical transport should change over the parameter space of spin-synchronized gas giants. In order to understand how tracer transport depends on planetary parameters, we develop an analytic theory to predict vertical velocities and mixing rates ($K_\mathrm{zz}$) and …
We present results from an atmospheric circulation study of nine hot Jupiters that comprise a large transmission spectral survey using the Hubble and Spitzer Space Telescopes. These observations exhibit a range of spectral behavior over optical and infrared wavelengths which suggest diverse cloud and haze properties in their atmospheres. By utilizing the specific system parameters for each planet, we naturally probe a wide phase space in planet radius, gravity, orbital period, and equilibrium temperature. First, we show that our model "grid" recovers trends shown in traditional parametric stud…
We have conducted laboratory experiments to study the chemistry in hot Jupiter atmospheres with C/O ratio of 0.35. We have compared our results with the ones obtained previously for atmospheres with a C/O ratio of 1 to investigate the influence of the C/O ratio on the chemistry and formation of photochemical organic aerosol. We found that the C/O ratio and the gas mixture compositions strongly influence the pathways responsible for the formation of CO2. Thermochemical reactions are primarily responsible for the formation of CO2 in low C/O ratio atmospheres, while photochemistry is the dominant…
The elemental ratios of carbon, nitrogen, and oxygen in the atmospheres of hot Jupiters may hold clues to their formation locations in the protostellar disc. In this work, we adopt gas phase chemical abundances of C, N and O from several locations in a disc chemical kinetics model as sources for the envelope of the hot Jupiter HD 209458b and evolve the planet's atmospheric composition using a 1D chemical kinetics model, treating both vertical mixing and photochemistry. We consider two atmospheric pressure-temperature profiles, one with and one without a thermal inversion. From each of the resu…
We present an open-source and validated chemical kinetics code for studying hot exoplanetary atmospheres, which we name VULCAN. It is constructed for gaseous chemistry from 500 to 2500 K using a reduced C-H-O chemical network with about 300 reactions. It uses eddy diffusion to mimic atmospheric dynamics and excludes photochemistry. We have provided a full description of the rate coefficients and thermodynamic data used. We validate VULCAN by reproducing chemical equilibrium and by comparing its output versus the disequilibrium-chemistry calculations of Moses et al. and Rimmer & Helling. It rep…
The atmosphere of K2-18 b: The role of hazes, clouds and photoelectrons
Université Reims Champagne Ardenne（兰斯香槟阿登大学）；Institut d’Astrophysique de Paris, UMR CNRS 7095（巴黎天体物理研究所）；University College London（伦敦大学学院）；King’s College London（伦敦国王学院）；Observatoire de Paris, Université PSL, Sorbonne Université, Université Paris Cité, CY Cergy Paris Université, CNRS（巴黎天文台）
We investigate the effects of atmospheric circulation on the chemistry of the hot Jupiter HD 209458b. We use a simplified dynamical model and a robust chemical network, as opposed to previous studies which have used a three dimensional circulation model coupled to a simple chemical kinetics scheme. The temperature structure and distribution of the main atmospheric constituents are calculated in the limit of an atmosphere that rotates as a solid body with an equatorial rotation rate of 1 km/s. Such motion mimics a uniform zonal wind which resembles the equatorial superrotation structure found b…
Modelling the effect of 3D temperature and chemistry on the cross-correlation signal of transiting ultra-hot Jupiters: A study of 5 chemical species on WASP-76b
The Effect of Atmospheric Chemistry on the Optical Geometric Albedos of Hot Jupiters
Center for Space and Habitability, University of Bern（伯尔尼大学太空与宜居中心）；Space Telescope Science Institute（太空望远镜科学研究所）；Ludwig Maximilian University, University Observatory Munich（路德维希-马克西米利安大学慕尼黑天文台）；University of Warwick, Department of Physics, Astronomy & Astrophysics Group（华威大学物理、天文学与天体物理学组）；University of Bern, ARTORG Center for Biomedical Engineering Research（伯尔尼大学ARTORG生物医学工程研究中心）
The James Webb Space Telescope (JWST) is expected to revolutionize the field of exoplanets. The broad wavelength coverage and the high sensitivity of its instruments will allow characterization of exoplanetary atmospheres with unprecedented precision. Following the Call for the Cycle 1 Early Release Science Program, the Transiting Exoplanet Community was awarded time to observe several targets, including WASP-43b. The atmosphere of this hot Jupiter has been intensively observed but still harbors some mysteries, especially concerning the day-night temperature gradient, the efficiency of the atm…
University College London（伦敦大学学院）；European Space Agency, ESAC（欧洲空间局，欧洲空间天文中心）；King’s College London, University of London（伦敦国王学院，伦敦大学）；Université Paris Cité and Univ Paris Est Creteil, CNRS, LISA（巴黎西岱大学与巴黎东克雷泰伊大学，法国国家科学研究中心，天体物理和行星实验室）
A major motivation of spectroscopic observations of giant exoplanets is to unveil planet formation processes from atmospheric compositions. Several recent studies suggested that atmospheric nitrogen, like carbon and oxygen, can provide important constrains on planetary formation environments. Since nitrogen chemistry can be far from thermochemical equilibrium in warm atmospheres, we extensively investigate under what conditions, and with what assumptions, the observable NH3 abundances can diagnose an atmosphere's bulk nitrogen abundance. In the first paper of this series, we investigate atmosp…
We investigate the chemical composition of the solar system's giant planets atmospheres using a physical formation model with chemistry. The model incorporate disk evolution, pebbles and gas accretion, type I and II migration, simplified disk photoevaporation and solar system chemical measurements. We track the chemical compositions of the formed giant planets and compare them to the observed values. Two categories of models are studied: with and without disk chemical enrichment via photoevaporation. Predictions for the Oxygen and Nitrogen abundances, core masses, and total amount of heavy ele…
In this work we investigate the impact of calculating non-equilibrium chemical abundances consistently with the temperature structure for the atmospheres of highly-irradiated, close-in gas giant exoplanets. Chemical kinetics models have been widely used in the literature to investigate the chemical compositions of hot Jupiter atmospheres which are expected to be driven away from chemical equilibrium via processes such as vertical mixing and photochemistry. All of these models have so far used pressure--temperature (P-T) profiles as fixed model input. This results in a decoupling of the chemist…
From pre-transit to post-eclipse: investigating the impact of 3D temperature, chemistry, and dynamics on high-resolution emission spectra of the ultra-hot Jupiter WASP-76b
Institut Trottier de Recherche sur les Exoplanètes, Université de Montréal（特罗提尔系外行星研究所，蒙特利尔大学）；Université Côte d’Azur, Observatoire de la Côte d’Azur, CNRS, Laboratoire Lagrange（蔚蓝海岸大学，蔚蓝海岸天文台，法国国家科学研究中心，拉格朗日实验室）；Center for Space and Habitability, University of Bern（太空与宜居性中心，伯尔尼大学）
