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Renewable cracking feedstocks from plastic waste and the need for novel reactor designs related to electrification of steam crackers drives the development of accurate and fundamental kinetic models for this...

Judit Zádor opened a discussion of the paper by Michael P. Burke: One outcome of this work is that rate coefficients can have a dependence that goes beyond just pressure and temperature. Is there a suitable formalism by which such dependencies could be represented in phenomenological kinetic models, such as the ones that are used to model combustion? Michael P. Burke answered: Yes, the rate coefficients can also depend on composition in addition to pressure and temperature, where the composition dependence arises not only from the composition dependence of the energy transfer terms but also the composition dependence of the bimolecular reaction terms. My group and I have developed suitable ways of representing the composition dependence of rate coefficients due to energy transfer effects (described in ref. 1-5 below), though it remains an open question how to best represent the additional composition dependence stemming from the reaction term in phenomenological kinetic models. 1 L. Lei and M. P. Burke, Dynamically evaluating mixture effects on multi-channel reactions in ames: A case study for the CH 3 + OH reaction, Proc. Combust. Inst., 2021, 38, 433-440. 2 L. Lei and M. P. Burke, Mixture rules and falloff are now major uncertainties in experimentally derived rate parameters for H + O 2 (+M) 4 HO 2 (+M), Combust. Flame, 2020, 213, 467-474. 3 L. Lei and M. P. Burke, Bath gas mixture effects on multi-channel reactions: insights and representations for systems beyond single-channel reactions,