Chempl: a playable package for modeling interstellar chemistry

Abstract

Astrochemical modeling is needed for understanding the formation and evolution of interstellar molecules, and for extracting physical information from spectroscopic observations of interstellar clouds. The modeling usually involves handling of a chemical reaction network and solution of a set of coupled nonlinear ordinary differential equations, which is traditionally done using code written in compiled languages such as Fortran or C/C++. While being computationally efficient, there is room for improvement in the ease of use and interactivity for such an approach. In this work we present a new public code named Chempl, which emphasizes interactivity in a modern Python environment, while remaining computationally efficient. Common reaction mechanisms and a three-phase formulation of gas-grain chemistry are implemented by default. It is straightforward to run 0D models with Chempl, and only a small amount of additional code is needed to construct 1D or higher dimensional chemical models. We demonstrate its usage with a few astrochemically relevant examples.

arXiv commentAccepted by Research in Astronomy and Astrophysics

References in corpus (27)

• The UMIST database for astrochemistry 2012
• Formation of methyl formate and other organic species in the warm-up phase of hot molecular cores
• The Cologne Database for Molecular Spectroscopy, CDMS, in the Virtual Atomic and Molecular Data Centre, VAMDC
• Structure of Stationary Photodissociation Fronts
• A KInetic Database for Astrochemistry (KIDA)
• The photodissociation and chemistry of CO isotopologues: applications to interstellar clouds and circumstellar disks
• Photodissociation and photoionisation of atoms and molecules of astrophysical interest
• Non-thermal desorption from interstellar dust grains via exothermic surface reactions
• A three-phase chemical model of hot cores: the formation of glycine
• 2018 Census of Interstellar, Circumstellar, Extragalactic, Protoplanetary Disk, and Exoplanetary Molecules
• Gas and grain chemical composition in cold cores as predicted by the Nautilus 3-phase model
• Photodesorption of Ices II: H2O and D2O
• Photodesorption of ices I: CO, N2 and CO2
• On the Formation of CO2 and Other Interstellar Ices
• Simulation of the Formation and Morphology of Ice Mantles on Interstellar Grains
• KROME - a package to embed chemistry in astrophysical simulations
• UCLCHEM: A Gas-Grain Chemical Code
• A new modified-rate approach for gas-grain chemical simulations
• Density-enhanced gas and dust shells in a new chemical model for IRC+10216
• Water vapor distribution in protoplanetary disks
• Photodissociation of interstellar N2
• A Unified Monte Carlo Treatment of Gas-Grain Chemistry for Large Reaction Networks. I. Testing Validity of Rate Equations in Molecular Clouds
• Interstellar Simulations Using A Unified Microscopic-Macroscopic Monte Carlo Model with a full Gas-Grain Network including Bulk Diffusion in Ice Mantles
• Unified Microscopic-Macroscopic Monte Carlo Simulations of Complex Organic Molecule Chemistry in Cold Cores
• A hybrid moment equation approach to gas-grain chemical modeling
• Photodesorption of water ice from dust grains and thermal desorption of cometary ices studied by the INSIDE experiment
• Accretion and photodesorption of CO ice as a function of the incident angle of deposition

Cited by in corpus (5)

• The chemical structure of young high-mass star-forming clumps: (II) parsec-scale CO depletion and deuterium fraction of $\mathrm{HC}{\mathrm{O}}^{+}$
• GGCHEMPY: A pure Python-based gas-grain chemical code for efficient simulation of interstellar chemistry
• Protonated hydrogen cyanide as a tracer of pristine molecular gas
• Chemical evolution during the formation of molecular clouds
• Shock-induced HCNH+ abundance enhancement in the heart of the starburst galaxy NGC 253 unveiled by ALCHEMI