A Cantera Example Would be Desirable about chemics HOT 9 CLOSED

Where did you see or hear that Chemics code was used with Cantera? Since Chemics is a Python package it can be used with any Python project. You just import it like any other Python package.

from chemics.

Hey Ashi, I just now realized @AdityaSavara is your GitHub profile. Glad to see you are on here.

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If I am not mistaken, you confirmed you had used chemics with Cantera when I asked about it by email. My experience has been that (and this is how I am, usually) if there is not an example of how to use two codes together, many (most?) potential users will not attempt to do so.

from chemics.

I don't remember what I was referring to in the email, but a recent example is where I used Chemics to calculate the biomass composition which was then used as the input to a Cantera reactor model. At the moment, Chemics can be used to compliment Cantera but not replace it. Ultimately, I would like for Chemics to be a complete replacement for Cantera but that will take a long time to accomplish. Especially since I'm the only person working on it.

from chemics.

My personal view is that it does not make sense to try to replace cantera rather than complementing it. I'll just paste again what I started this issues card with:

Knowing that the chemics code has been used with Cantera, it would be desirable to have an example provided for that [full folder so that anyone with cantera can run the example]. Additionally, if there are any reports / papers where the combination was used, that will be good to provide with the example [either the actual report or a link to the report].

If you don't want to grow your user base, that's fine. However, if you wish to, I recommend providing a zip file of such an example, within your repository or linked from it.

from chemics.

As mentioned in the README, examples are available in the chemics/examples repository. I'll add the Chemics/Cantera example to that repository later this week.

from chemics.

Great.

from chemics.

I added a batch reactor example to the examples repository. See the batch-reactor folder at https://github.com/chemics/examples. In the example, I use Chemics to calculate the biomass composition which is used as the initial concentration in the Cantera batch reactor model.

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Also, I enabled the Discussions feature for the repository to encourage others to share ideas, request features, and to build a community. Not sure if it will actually get used but it's there if anyone wants to communicate in a forum instead of submitting an issue.

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