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Comprehensive Coupled Chemistry Model (C3M)

Description

The code is developed by the Planetary Science Laboratory at the University of Michigan, Ann Arbor. It is an atmospheric photochemistry model that can be used as a standalone photochemistry model, and can be coupled with hydrodynamic models for chemical transport in planetary environments. It is built using the Athena++ Magnetohydrodynamics Solver, and Cantera, a heritage chemical kinetics code for combustion applications. C3M leverages chemical kinetics information from peer-review sources of atmospheric chemistry, open source databases, and legacy models like CalTech/JPL KINETICS.

Installing C3M

Pre-requisites

Following are the pre-requisites for running C3M. You can install them on your system.

Cantera
Athena++
Eigen
CMake

C3M Capabilities

The code currently has following capabilities:

  • Solving box photochemistry, thermochemistry with ion-neutral reactions
  • One dimensional gas phase neutral photochemistry and thermochemistry
  • One dimensional gas phase ion-electron chemistry with electron impact processes
  • Formulation of custom reaction expressions, transport variables and atmospheric opacity for photochemistry

Structure of C3M

src

It contains the functions for performing radiative transfer calculations, and including custom transport, and rates for a given planet type or system of reactions. C3M leverages heritage photochemical cross sections from MPI-Mainz database, Leiden Observatory, and CalTech/JPL KINETICS.

tests

PhotoChemBox.cpp - It runs the box chemistry solver for a given system of chemical reactions
IonChemSolver.cpp - It solves one dimesional continuity equations for ion-neutral reactions. It includes custom reactions, and electron impact processes using second order explicit diffusion in space, and first order implicit time marching. Actinic flux calculation is based on Beer-Lambert law
1DPP.cpp - It is a modular, one dimensional photochemistry model using fully-implicit solver for a given set of chemical reactions

data

This directory contains important datasets corresponding to chemical reaction networks, photochemical cross sections and absorption cross sections from heritage atmospheric chemistry models.
VULCAN: This folder contains selected photochemical cross sections from Leiden Observatory stored in VULCAN exoplanet chemical kinetics package
MPIUV: This folder stores photochemical cross sections from MPI-Mainz database
planet: It contains the atmospheric structure profiles, chemical composition profiles, and electron impact rates for ionospheric chemistry (Jupiter only)
network: This folder stores Cantera and C3M compatible reaction networks in two formats (.c3m) and (.yaml)
stellar: It includes stellar intensity spectrum for various Sun and other stars

tools

It contains important tools to handle chemical file format, and visualization of chemical reaction networks

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Comprehensive Coupled Chemistry Model

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