Skip to content
master
Switch branches/tags
Go to file
Code

Latest commit

 

Git stats

Files

Permalink
Failed to load latest commit information.
Type
Name
Latest commit message
Commit time
 
 
 
 
 
 
 
 
 
 
 
 

README.md

SimEx

Simulation of extraction processes

Model for the extraction of volatile and semi-volatile compounds based on numerical simulations of diffusion processes. It shows some of the equilibria established along time. This model can be on-line simulated with the input of variables like diffusion coefficients, Henry constant, or the thickness of each phase, among others.

It is based on a robust and general numerical model to simulate closed system extraction processes for analytical purposes based on one dimensional diffusion differential equations.

Main developers:

The software is freely provided without restriction for general purpose usage. Please cite the software as:

  • (TODO)

Suggestions for improvements can be mailed to developers and are more than welcome!


Installation

Use the code without installing it, via binder:

Main code folder:

  • Binder

Examples:

  • HeadSpace Solid-Phase Microextraction Binder
  • Immersed Solid-Phase Microextraction Binder
  • Gas Diffusion Micro Extraction Binder
  • Membrane-Aided Gas-Diffusion Binder

Run locally on your computer:

  1. Install python-3.8.x or higher

  2. Install required python packages (pip install pkgname):

  • numpy
  • scipy
  • matplotlib
  • pandas
  1. git clone the repository (or download the repository files).

Execution

With Jupyter-notebook:

  1. Copy one of the notebook examples (e.g. simex_example.ipynb -> mysimex_example.ipynb)
  2. Open the notebook with jupyter-notebook
  3. Edit the parameters in the notebook and run the cells.
  4. Outputs will be placed in an output/ folder

With a parameter file:

  1. Edit parameters file: simex_params.py
  2. Run execution file: python simex_run.py
  3. Outputs will be placed in an output/ folder

About

Extraction Diffusion Model

Resources

License

Releases

No releases published

Packages

No packages published