2016AIP conference proceedingsRequires access

Description of deviations from Arrhenius behavior in chemical kinetics and materials science

Valter H. Carvalho‐Silva, Nayara D. Coutinho, Vincenz̊o Aquilanti

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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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What this paper is about

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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Available 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.

Key concepts: Arrhenius equation, Kinetics, Materials science, Thermodynamics, Chemical kinetics, Computer science, Physics, Quantum mechanics

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