n-hexadecane using mechanism_reduction.py

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pgknunes

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Dec 31, 2021, 2:07:29 PM12/31/21

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Hi, I'm trying to use Cantera with the modified "mechanism_reduction.py" example to calculate the ignition delay for n-hexadecane. Could someone help me by checking if I'm using the template correctly? Attached is the source code with the modifications I made and files for simulation. For 800 K and 50 atm the delay should be close to 0.2 ms, but I'm getting close to 10 ms.

C11H10_HT_cinetica.cti

NC16H34.py

SERGIO SANCHEZ MARTINEZ

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Jan 6, 2022, 10:37:49 AM1/6/22

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Hello dear pgknunes , I have run your code and you are right, if you run the code you attached with that mole fraction in the mixture composition yeah it is going to give you an IDT of ~10ms.

However, if from your initial composition mixture:

NC16H34: 21.46 (it was originally 1.0 I just round it so the sum of all mixture components total is equal to 1.0)
O2: 16.5
N2: 62.04

Then you will be given an IDT of ~ 0.2 ms.

I hope this helps you out a bit. So be very careful with your mixture composition.

Best,

Sergio.

El vie, 31 dic 2021 a las 19:07, pgknunes (<krejc...@gmail.com>) escribió:

Hi, I'm trying to use Cantera with the modified "mechanism_reduction.py" example to calculate the ignition delay for n-hexadecane. Could someone help me by checking if I'm using the template correctly? Attached is the source code with the modifications I made and files for simulation. For 800 K and 50 atm the delay should be close to 0.2 ms, but I'm getting close to 10 ms.

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