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[Chemistry] Lumped species in chemical reactions |
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July 6, 2021, 07:40 |
[Chemistry] Lumped species in chemical reactions
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Senior Member
Gerry Kan
Join Date: May 2016
Posts: 373
Rep Power: 11 |
Howdy Foamers:
I have a question concerning definition of chemical reactions (as in ${CASE}/constant/reactions): Question 1: How are the elements and species blocks used? What happens if the mechanism I am using as "lumped" species for which I cannot break down to their atom count (and hence I cannot get a definitive molar mass)? Question 2: Another question is ... in the mechanism in question "abundant" reactive species are often omitted. So something like: O + O2 + M -> O3 + M will be shorthanded as O -> O3 and the reaction rate will be lumped with the assumed concentrations of O2 and M, that is: k_mod = k_original x [O2] x [M] In this context, if the changes in [O2] and [M] can be effectively regarded as negligible for the duration of the simulation, can I still write the shorthanded reaction using the lumped reaction rate? Thanks in advance, Gerry. |
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