1. Chemical kinetics

While thermodynamics can be used to calculate the equilibrium constant of a reaction, only kinetics is concerned with the speed and mechanism of the reaction, and the time required to reach equilibrium. The aim of this first paragraph is to provide a brief reminder of the main concepts involved in reaction kinetics, and in particular elementary reactions. Complete demonstrations of the relationships can be found in the reference books.

1.1 Reaction speed

For a reaction in the gas phase, the rate of consumption r _A of a reactant A or of formation r _P of a product is the quantity of matter of the body under consideration destroyed or created per unit of time referred to...

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Chemical kinetics

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Phenomena observed during oxidation of organic molecules

Bibliography

(1) - SCACCHI (G.), BOUCHY (M.), FOUCAULT (J.F.), ZAHRAA (O.) - Cinétique et catalyse. - Lavoisier, Paris (1996).
(2) - BAULCH (D.L.), BOWMAN (C.T.), COBOS (C.J.), COX (R.A.), JUST (Th.), KERR (J.A.), MURRELLS (T.P.), PILLING (M.J.), TROE (J.), WALKER (R.W.), WARNATZ...

Digital media

Detailed kinetic models for combustion reactions

http://combustion.berkeley.edu/gri-mech/

https://combustion.llnl.gov/

http://www.chem.polimi.it/CRECKModeling/

Software tools

CHEMKIN (Reaction Design®),

COSILAB (SoftPredict®),

CANTERA (Stanford University) software for running simulations with detailed kinetic mechanisms for different types of reactor http://www.cantera.org or http://sourceforge.net/projects/cantera

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