相关论文: VULCAN: an Open-Source, Validated Chemical Kinetic…
In the present work we compare reliability of several most widely used reduced detailed chemical kinetic schemes for hydrogen-air and hydrogen-oxygen combustible mixtures. The validation of the schemes includes detailed analysis of 0D and…
Several chemical networks have been developed to study warm (exo)planetary atmospheres. The kinetics of the reactions related to the methanol chemistry included in these schemes have been questioned. The goal of this paper is to update the…
Context. Clouds are ubiquitous in exoplanets' atmospheres and play an important role in setting the opacity and chemical inventory of the atmosphere. Understanding clouds is a critical step in interpreting exoplanets' spectroscopic data.…
HCN is a key ingredient for synthesizing biomolecules such as nucleobases and amino acids. We calculate 42 reaction rate coefficients directly involved with or in competition with the production of HCN in the early Earth or Titan…
We have developed a 1D planetary atmosphere model that solves in a self-consistent manner the evolution of temperature and disequilibrium chemistry in the vertical direction. Thermochemical kinetics is based on a reaction network built from…
The absorption and emission of light by exoplanet atmospheres encode details of atmospheric composition, temperature, and dynamics. Fundamentally, simulating these processes requires detailed knowledge of the opacity of gases within an…
In this era of exoplanet characterisation with JWST, the need for a fast implementation of classical forward models to understand the chemical and physical processes in exoplanet atmospheres is more important than ever. Notably, the…
We present a comprehensive study of the abundance of carbon dioxide in exoplanetary atmospheres in hot, hydrogen-dominated atmospheres. We construct novel analytical models of systems in chemical equilibrium that include carbon monoxide,…
Resolving Orbital and Climate Keys of Earth and Extraterrestrial Environments with Dynamics (ROCKE-3D) is a 3-Dimensional General Circulation Model (GCM) developed at the NASA Goddard Institute for Space Studies for the modeling of…
The chemical environments of young planets are assumed to be largely influenced by impacts of bodies lingering on unstable trajectories after the dissolution of the protoplanetary disk. We explore the chemical consequences of impacts within…
Most observed exoplanets have high equilibrium temperatures. Understanding the chemistry of their atmospheres and interpreting their observations requires the use of chemical kinetic models including photochemistry. The thermal dependence…
Exoplanet atmospheric retrieval is a computational technique widely used to infer properties of planetary atmospheres from remote spectroscopic observations. Retrieval codes typically employ Bayesian sampling algorithms or machine learning…
Recently discovered exoplanets on close-in orbits should have surface temperatures of 100's to 1000's of K. They are likely tidally locked and synchronously rotating around their parent stars and, if an atmosphere is absent, have surface…
The atmospheric dynamics of tidally-locked hot Jupiters is characterized by strong equatorial winds. Understanding the interaction between global circulation and chemistry is crucial in atmospheric studies and interpreting observations.…
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…
We present the easy-to-use, publicly available, Python package petitRADTRANS, built for the spectral characterization of exoplanet atmospheres. The code is fast, accurate, and versatile; it can calculate both transmission and emission…
The identification of molecules in exoplanetary atmospheres is only possible thanks to the availability of high-resolution molecular spectroscopic data. However, due to its intensive and time-consuming generation process, at present, only…
The Combustion Toolbox (CT) is a newly developed open-source thermochemical code designed to solve problems involving chemical equilibrium for both gas- and condensed-phase species. The kernel of the code is based on the theoretical…
Hydrogen cyanide (HCN) is a key feedstock molecule for the production of life's building blocks. The formation of HCN in an N$_2$-rich atmospheres requires first that the triple bond between N$\equiv$N be severed, and then that the atomic…
For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled…