Description of deviations from Arrhenius behavior in chemical kinetics and materials science
Valter H. Carvalho‐Silva, Nayara D. Coutinho, Vincenz̊o Aquilanti
Abstract
Valter H. Carvalho‐Silva, Nayara D. Coutinho, Vincenz̊o Aquilanti
Abstract
The Arrhenius law has been used successfully to describe the temperature dependence for a considerable number of rate processes in many areas of molecular science. In order to provide a description of non-Arrhenius processes, we illustrate a formula permitting to evaluate prototypes systems where the temperature dependence of the rate constant is concave (super-Arrhenius), convex (sub-Arrhenius), or may change the curvature (anti-Arrhenius) in the semilog plots against reciprocal temperature. Modern experimental techniques and theoretical approaches are providing an ample phenomenology for deviations especially at low temperatures.
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The Arrhenius law has been used successfully to describe the temperature dependence for a considerable number of rate processes in many areas of molecular science. In order to provide a description of non-Arrhenius processes, we illustrate a formula permitting to evaluate prototypes systems where the temperature dependence of the rate constant is concave (super-Arrhenius), convex (sub-Arrhenius), or may change the curvature (anti-Arrhenius) in the semilog plots against reciprocal temperature. Modern experimental techniques and theoretical approaches are providing an ample phenomenology for deviations especially at low temperatures.
Key concepts: Arrhenius equation, Kinetics, Materials science, Thermodynamics, Chemical kinetics, Computer science, Physics, Quantum mechanics