Chemical reactions: beyond thermodynamics, kinetics
Characterizing the kinetics of atomic diffusion using the Activation Relaxation Technique

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Chemical reactions: beyond thermodynamics, kinetics


Characterizing the kinetics of atomic diffusion using the Activation Relaxation Technique

Authors : Antoine JAY, Normand MOUSSEAU, Nicolas SALLES, Miha GUNDE, Matic POBERŽNIK, Marie BRUT, Layla MARTIN-SAMOS, Nicolas RICHARD, Anne HÉMERYCK

Publication date: December 10, 2023 | Lire en français

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1. Chemical reactions: beyond thermodynamics, kinetics

A chemical reaction is a process in which chemical substances, called "reactants", are transformed into other substances, called "products". Reactions are described by a chain of elementary mechanisms called :

AkC( 1 )

In this equation (1) , A represents the reactant and C the reaction product. k is the reaction constant, which is the key parameter for calculating the reaction rate when defining concentrations, or the diffusion coefficient in diffusive phenomena. These quantities govern the kinetics of the system under study....

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