GasChromatographySimulator.jl Documentation

Introduction

The package GasChromatographySimulator.jl simulates the separation of different substances (solutes) in a gas chromatographic (GC) system. The simulation uses ordinary differential equations (ODE) to model the migration $t(x)$ of a solute through the GC system and the development of the peak variance during this migration $τ²(x)$.

Beside a temperature program (change of the temperature of the GC-system with time $T(t)$) and a pressure/flow program (change of inlet $p_i(t)$ and/or outlet pressure $p_o(t)$ with time, resp. change of the flow with time $F(t)$), a thermal gradient (non-uniform change of the temperature along the GC column, $T(x)$) can be added. Also a non-uniform thickness of the stationary phase $d_f(x)$ and a non-uniform column diameter $d(x)$ can be defined.

The interaction between the substances and the stationary phase of the GC-system is described by a thermodynamic model (K-centric thermodynamic parameters [6])

Chromatogram

For further details see [8].

The simulation uses the following packages:

Contribution

Please open an issue if you:

want to report a bug
have problems using the package (please first look at the documentation)
have ideas for new features or ways to improve the usage of this package

You can contribute (e.g. fix bugs, add new features, add to the documentation) to this package by Pull Request:

first discuss your contributions in a new issue
ensure that all tests pass locally before starting the pull request
new features should be included in runtests.jl
add description to the pull request, link to corresponding issues by # and issue number
the pull request will be reviewed

Content

The manual is structured as followed: