How to understand Reaction Path Diagram?

Wenchao Liu

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Sep 12, 2022, 9:07:56 PM9/12/22

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Hi, everyone!

I am new to Reaction path analysis. I am wondering what the numbers beside those lines in Reaction Path Diagram mean? And what is the "Scale = 5e-5"?

I will be grateful for any help, thanks.

Wenchao.

chandra vadhana

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Sep 14, 2022, 4:59:41 AM9/14/22

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Hi

It is the net rate. I.e. Forward - backward rates. The units correspond to the rates of the reaction.

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chandra vadhana

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Sep 14, 2022, 5:00:32 AM9/14/22

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Also thicker lines indicate dominant routes or higher rates.

chandra vadhana

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Sep 14, 2022, 5:03:47 AM9/14/22

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SCALE is the scaling factor. Net rates are normalized with the maximum net flux. Reaction path analysis in cantera is documented.

On Wed, 14 Sep 2022, 2:29 pm chandra vadhana, <chandrav...@gmail.com> wrote:

Wenchao Liu

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Sep 14, 2022, 8:16:28 AM9/14/22

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Hi, Vadhana!

Thanks a lot for your detailed answer. It's much clearer for me right now.

Regards,

Wenchao.

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