Tutorials

In this section we show how to set up the following clay systems:

• Wyoming Montmorillonite,
• Illite,
• Pyrophyllite,
• Brown and green Uley nontronites,
• Ferruginous Smectite,
• Kaolinite,
• Layered double hydroxide.

All the necessary input files (the .CSV and corresponding .YAML files) can be found in the Tutorial directory.

The supplied exp_clay.csv file and contains clay structures corresponding to the Source Clays listed under "Physical and Chemical Data of Source Clays" clays.org.

• 1:1 (TO) dioctohedral smectite:

  • Kaolin KGa-1;

• 2:1 (TOT) dioctohedral smectite:

  • Na-Montmorillonite (Wyoming) SWy-1,
  • Illite IMt-1,
  • Ferruginous Smectite SWa-1,
  • Nontronite NAu-1-fe,
  • Nontronite NAu-2-fe,
  • Nontronite NG-1;

• example Al-Mg 3:1 layered double hydroxide:

  • LDH31.

Note, that Pyrophyllite composition is not given in the .CSV file, and it s fully described in the .YAML.