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Some basics on how to use Python for chemical modelling and data analysis

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This is a collection of tutorials for a private (yet) chemical and chemical engineering simulation module.

Chemical mechanisms:

  1. Examples of simple chemical reactions: Chemistry_basics.ipynb
  2. Finding the kinetic constants from experimental data: Chemistry_fitting.ipynb
  3. Advanced examples of oscillatory reactions (chemical clock, predator-prey): Chemistry_Oscillations.ipynb
  4. Michaelis-Menten kinetics: approximated model and exact numerical solution (incomplete): Chemistry_Michaelis-Menten.ipynb
  5. Reproducing experiments for activation energy measurements (to be simplified): Activation_energy.ipynb

Continuous reactors: CSTR and PFR:

  1. Examples of setups for dynamic systems with single reactors: Reactors_basics.ipynb
  2. Combinations of reactors in series: Flowsheet.ipynb
  3. Fitting experimental data from continuous reactors is currently not available.

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