Overview
This page provides instructions for creating a Comma Separated Value (.csv) file to use as input for the reaction tool that calculates possible chemical reactions among phases of fixed composition. Most people will prepare the .csv file using spreadsheet software, such as Excel or Google Sheets, using "Comma Separated Values" as the File Type when saving, so these instructions refer to spreadsheet formatting and actions.
Reaction .csv Input File Format Instructions
Format Instructions
- The first row of the spreadsheet should contain the chemical component names. For best results use oxide or mineral formulas as components.
- The first column of the spreadsheet should contain the phase names (abbreviations).
- The fixed phase compositions should be to the right of the phase names with values in the appropriate component column.
- Do not have any space characters in the spreadsheet cells.
- The contents of two sample sample files shown below. You can download these examples as .csv files here: Example1, Example2.
- Note: the Gauss reduction algorithm will calculate reactions only if there are more phases than chemcal components. So in some cases you may have to add one or more addtional phases to see some reactions. For example, add Qz to And, Ky, and Sil if you want to see the aluminosilicate reactions. Also, if more than 50 reactions are found, you will need to repeat your querry with a smaller number or different group of phases.
Sample .csv Files
| Phase | SiO2 | MgO | CaO | H2O |
|---|---|---|---|---|
| Qz | 1 | 0 | 0 | 0 |
| Di | 2 | 1 | 1 | 0 |
| Fo | 1 | 2 | 0 | 0 |
| En | 2 | 2 | 0 | 0 |
| Wo | 1 | 0 | 1 | 0 |
| Tr | 8 | 5 | 2 | 1 |
| Tc | 4 | 3 | 0 | 1 |
| Phase | SiO2 | Mg2SiO4 | CaSiO3 | H2O |
|---|---|---|---|---|
| Qz | 1 | 0 | 0 | 0 |
| Di | 0.5 | 0.5 | 1 | 0 |
| Fo | 0 | 1 | 0 | 0 |
| En | 1 | 1 | 0 | 0 |
| Wo | 0 | 0 | 1 | 0 |
| Tr | 3.5 | 2.5 | 2 | 1 |
| Tc | 2.5 | 1.5 | 0 | 1 |
