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ReactionMechanismSimulator

The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms

Readme

RMS - Reaction Mechanism Simulator

Build status codecov

Description

RMS is a Julia package designed for simulating and analyzing large chemical reaction mechanisms.

Features

Ideal gas and dilute liquid phases.
Constant T and P and constant V adiabatic ideal gas reactors.
Constant T and V dilute liquid reactors.
Diffusion limited rates. Sensitivity analysis for all reactors.
Flux diagrams with molecular images (if molecular information is provided).
Handy plotting and other solution analysis tools.
Easy to add new features.

Installation

RMS currently has dependencies that are only available in python 2. So currently in order to use RMS it is necessary for your PyCall to reference a python 2 installation.

This can be done with PyCall uninstalled:

using Pkg
ENV["PYTHON"] = "absolute path to python 2 executable ex:  ~/anaconda2/envs/conda_jl/bin/python"
ENV["CONDA_JL_HOME"] = "absolute path to the python install ex:  ~/anaconda2/envs/conda_jl"
Pkg.add("PyCall")
Pkg.build("PyCall")

Once this is done RMS can be installed with:

using Pkg
Pkg.add("ReactionMechanismSimulator")
Pkg.build("ReactionMechanismSimulator")

using ReactionMechanismSimulator

Detailed instructions and documentation are currently available in the wiki.

First Commit

10/19/2018

Last Touched

24 days ago

Commits

339 commits

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