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DRAFT: Add mechanisms for di- and trimethoxymethane pyrolysis #17

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4 changes: 0 additions & 4 deletions DME_CH3OCH3/readme.md

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12 changes: 6 additions & 6 deletions README.md
Original file line number Diff line number Diff line change
@@ -1,8 +1,10 @@
# CollectionOfMechanisms

This repo is a collection of combustion reaction mechanisms. This repo also tries to include a converted Cantera `XML` and `YAML` based mechanism. Therefore, cantera users can import those mechanism out of the shelf.
This repo is a collection of combustion reaction mechanisms.
This repo also tries to include a converted Cantera `YAML` format mechanism to
allow Cantera users to avoid the effort of repeatedly converting mechanisms.

Below are the proposed data organization structure. See the demo folder for DME_CH3OCH3.
Below is the proposed data organization structure.

```
Fuel Name
Expand All @@ -13,10 +15,8 @@ Fuel Name
│ │ chem.inp (chemkin format)
│ │ /thermo.dat
│ │ /tran.dat
│ │ /chem.xml (cantera format)
│ │ /chem.yaml (cantera format)
│ │ /chem.cti (cantera format, optionally)
│ │ /README.md: link to the origional paper/website
│ │ /README.md: link to the original paper/website and any relevant comments (e.g. on mechanism conversion)
|
```

Expand All @@ -40,5 +40,5 @@ Other collections:

## Useful links

* [Useful tips for converting chemkin mechanisms to cti mechanisms](https://chemicalkinetics.wordpress.com/2013/11/15/my-procedure-for-converting-chemkin-mechanisms-to-cantera-cti-mechanisms/)
* [Converting Chemkin-format files](https://cantera.org/tutorials/ck2yaml-tutorial.html)
* [fitData_Cantera: fit thermo file to a uniform common T](https://github.com/ZhangYanTJU/fitData_Cantera)
2,783 changes: 2,783 additions & 0 deletions ethers/dimethoxymethane_DMM/DMM_pyrolysis_wToluene_2022-01-04.inp

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1,240 changes: 1,240 additions & 0 deletions ethers/dimethoxymethane_DMM/DMM_pyrolysis_wToluene_2022-01-04.therm

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