相关论文: FastChem 2: An improved computer program to determ…

We introduce a new flexible one-dimensional photochemical model named Photochemical and RadiatiOn Transport model for Extensive USe (PROTEUS), which consists of a Python graphical user interface (GUI) program and Fortran 90 modules. PROTEUS…

Self-consistent mean-field methods with Skyrme-type effective interactions and semiclassical approximations, such as the Thomas-Fermi approach and its extensions are particularly well-suited for describing in a thermodynamically consistent…

The search for habitable, Earth-like exoplanets faces major observational challenges due to their small size and faint signals. M-dwarf stars offer a promising avenue to detect and study smaller planets, especially sub-Neptunes-among the…

The 2.45 GHz plasma torch CO$_2\to$ CO + $\frac12$O$_2$ conversion experiment [F A D"Isa et al. Plasma Sources Sci. Technol., vol. 29 (2020) 105009] has been compared with thermo-chemical calculations. The 1.5D model of the…

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…

Thermal emission spectra of exoplanets provide constraints on the chemical compositions, pressure-temperature (P-T) profiles, and energy transport in exoplanetary atmospheres. Accurate inferences of these properties rely on the robustness…

Hi-resolution spectroscopy (R > 25,000) has recently emerged as one of the leading methods to detect atomic and molecular species in the atmospheres of exoplanets. However, it has so far been lacking in a robust method to extract…

Between 2004 and 2007 the instruments of the CASSINI spacecraft discovered hydrocarbon lakes in the polar regions of Titan. We have developed a lake-atmosphere equilibrium model allowing the determination of the chemical composition of…

Motivated by the inability of Galactic chemical evolution models to reproduce some of the observed solar neighbourhood distribution of elements (and isotopes) with atomic numbers 6 < Z < 15, we have revisited the relevant stellar and…

Equilibrium properties of hydrogen-helium mixtures under conditions similar to the interior of giant gas planets are studied by means of first principle density functional molecular dynamics simulations. We investigate the molecular and…

We present a new equation of state (EOS) for dense hydrogen/helium mixtures which covers a range of densities from $10^{-8}$ to $10^6$ g.cm$^{-3}$, pressures from $10^{-9}$ to $10^{13}$ GPa and temperatures from $10^{2}$ to $10^{8}$ K. The…

Recent spectroscopic observations of transiting hot Jupiters have permitted the derivation of the thermal structure and molecular abundances of H2O, CO2, CO, and CH4 in these extreme atmospheres. Here, for the first time, we apply the…

Aims. With the large amount of molecular emission data from (sub)millimeter observatories and incoming James Webb Space Telescope infrared spectroscopy, access to fast forward models of the chemical composition of protoplanetary disks is of…

A thorough in situ characterization of materials at extreme conditions is challenging, and computational tools such as crystal structural search methods in combination with ab initio calculations are widely used to guide experiments by…

(Abridged) There is a diverse chemical inventory in protostellar regions leading to the classification of extreme types of systems. Warm carbon chain chemistry sources, for one, are the warm and dense regions near a protostar containing…

We have developed a new massively-parallel radiation-hydrodynamics code (Cosmos) for Newtonian and relativistic astrophysical problems that also includes radiative cooling, self-gravity, and non-equilibrium, multi-species chemistry. Several…

High-resolution spectroscopy (R > 25,000) has opened new opportunities to characterize exoplanet atmospheres from the ground. By resolving individual lines in planetary emission and transmission spectra, one can sensitively probe the…

$T, p$ flash calculations determine the correct number of phases at phase equilibrium and their compositions for fixed temperature and pressure. They are essential for chemical process simulation and optimization. The convex envelope method…

Upcoming facilities such as the Herschel Space Observatory or ALMA will deliver a wealth of molecular line observations of young stellar objects (YSOs). Based on line fluxes, chemical abundances can then be estimated by radiative transfer…

We present an update of the open-source photochemical kinetics code VULCAN (Tsai et al. 2017; https://github.com/exoclime/VULCAN) to include C-H-N-O-S networks and photochemistry. Additional new features are advection transport,…