I am actually working on Cl atom/OH radical initiated reactions with various Volatile Organic Compounds theoretically. In general, when we encounter the interaction between the 2 reactants in a bimolecular reaction, we come across a pre-reactive complex on the Potential Energy Surface. But it is seen from literature that an assumption is taken that there exist a fast equilibrium between the reactants and the pre-reactive complex. I am interested to know what do we mean by this equilibrium and also want to know how to incorporate this equilibrium into the rate constant calculations.
Attached are some papers that more clearly explains the same point mentioned above.
Dear Parth,
This is a friendly advise to learn something yourself before asking for help.I have no intention to embarrass you.
Your question demonstrates that you are lacking of basic knowledge in chemistry of free radicals and in transition state theory (TST). What are the "pre-reactive complex", "rate kinetics," "radical initiated reactions?" TCT assumes "a special type of chemical equilibrium (quasi-equilibrium) between reactants and activated transition state complexes. ( https://en.wikipedia.org/wiki/Transition_state_theory ).
"want to know how to incorporate this equilibrium into the rate constant calculations." There are tons of literature on this subject, just read and learn.
Thank you Sir for your kind reply.
I will go through the literature and get my doubts clear.
There is no such thing like equilibrium if you have radicals in the system. They will react as long as possible until termination will take place.
Regards
G
Thanks Boczkaj, for bringing clarity towards the question asked.
With regards,
Parth
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