Simulating of Styrene polymerization in free radicals .

[Edward Iwuchukwu]

Good day everyone,

As a reminder to my question for your  assistance in simulating the above  reaction. I have challenges inputting the reactions (see attached). The most important steps are the propagation and termination(by disproportion and combination), since they are increasing chains. 

I will appreciate you assistance thank you.

[Frank Bergmann]

COPASI can not handle increasing chains at this point. SO it would be a fixed chain length for each model. However, you could look into using the high level api's like CorC: https://github.com/jpahle/CoRC or Basico: https://basico.readthedocs.io to script the creation of the individual chains. 

best

Frank

[Pedro Mendes]

To model polymer growth you are probably better off by using a
rule-based language and a network free simulation tool. With VCell
(https://vcell.org/) you could use the bionetgen language and then
simulate with NFsim all in one package.

Pedro

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