Polymerisation Simulation in Cantera

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Ilias Chair

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Sep 3, 2022, 9:04:09 AM9/3/22
to Cantera Users' Group

Hello Cantera Community, 

I am currently working on a Project on the topic of Micro Gels, and I am looking for software to simulate polymerization reactions with.

For that reason, I wanted to ask how easy that would be to implement and Cantera and if Cantera is fit for such simulations in the first place. Has anyone done polymerization reaction in Cantera before?

I am mainly interested in the rate of formation, final composition and enthalpy transfer rate of the reaction.

One challenge is that I (given the Arrhenius rate constants) need to create the mechanism from scratch. How difficult would it be to implement in Cantera myself?

I am guessing that if I need to specify the reaction equation for polymers of every length and arrangement, the mechanism file would quickly become very long. Is there a workaround for that specific purpose?

Any assistance would be much appreciated.

Much obliged
Ilias Chair

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