mechanism repository

[Sudipto]

Hello

I wanted to know if there is a site which has most of the mechanisms at one place?

I see mechanisms scattered all over and often hard to find through search engines.

Can anyone provide/point to Smooke mechanism?

Also what will be the smallest methane mechanism with soot?

Thanks & regards

Sudipto

[Sudipto]

Can anyone provide/point to Smooke mechanism to use with Cantera?

[Ingmar Schoegl]

Hi Sudipto,

Mechanisms are typically put online by kinetics groups; I am not aware of a central repository that manages them all.

For the Smooke mechanism: one source may be https://doi.org/10.1016/S0082-0784(88)80412-0 (although I don't have access at the moment) but there's another version in the Springer book (Reduced Kinetic Mechanisms and Asymptotic Approximations for Methane-Air Flames); I'm not sure which one you are referring to. Unfortunately I am not aware of a site where Chemkin / CTI files for Smooke can be downloaded. A secondary source lists the PROCI version with 16 species and 46 reactions, while Table II in the Springer text lists 16 species with around 35 reactions. In either version, it should be possible to enter this manually (reaction types should be compatible with CHEMKIN/Cantera).

In general, be careful when going to small (or early) mechanisms - they often are tuned for specific use cases as some compromises are generally necessary. Make sure to spot-check with larger modern mechanisms that your results look reasonable.

-ingmar-

[Steven DeCaluwe]

Many thanks - this looks like a great resource!

We don’t have any place on the website to do this currently, but down the road if we decided to, would you mind if we linked to this?

Steven

On Jan 31, 2021, at 10:23 AM, Weiqi Ji <jiwe...@gmail.com> wrote:

Hi, I have tried to make one at https://github.com/jiweiqi/CollectionOfMechanisms. And it is growing up gradually.

--
You received this message because you are subscribed to the Google Groups "Cantera Users' Group" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cantera-user...@googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cantera-users/65804558-8b5e-418c-8c6d-724f2cc0dd64n%40googlegroups.com.

[Ingmar Schoegl]

Weiqi,

You could add yourself to this page here: https://github.com/Cantera/cantera-website/blob/main/pages/affiliated.rst

-Ingmar- 

On Monday, February 15, 2021 at 1:32:43 PM UTC-6 Weiqi Ji wrote:

Hi Steven,

Sure, that will be great if it is advertised on the Cantera website, and attract more people to contribute it. Especially, I look forward to putting more YAML mechanism into it.

Weiqi

[Ingmar Schoegl]

No problem. I added some of the repositories I usually refer to in a new PR to your repo (at least those I could think of at the moment), as I thought that this was missing at the moment. Best,

-ingmar-

On Tuesday, February 16, 2021 at 10:44:00 PM UTC-6 Weiqi Ji wrote:

Thanks for the guidance, I just pulled a request and including the other two packages that I am working on as well.

[Sudipto]

Dear Weiqi

Many thanks for the grand collection.

I searched for soot but could not find

Regards

Sudipto