Modern experimental and theoretical apparatus are providing an ample spectrum of phenomenology in non-Arrhenius behavior, especially at low temperatures. Here, we present a set of phenomenological and first-principal tools to describe temperature dependence of rate constant under extreme low temperature. Illustrating case studies with the super-Arrhenius kinetics, as treatment of diffusion and viscosity supercooled and glass material; (ii) the sub-Arrhenius kinetics, with proton/hydrogen transfer in chemical reactions with astrochemistry, astrobiology, atmospheric and industrial applications; and (iii) the anti-Arrhenius kinetics, where processes with no energetic obstacles are rate-limited by molecular reorientation requirements as OH + HBX (X= Cl and Br) and F + HD elementary chemical reactions

Chemical Kinetics in Extreme conditions:exact, phenomenolical and first-principle computational approaches

D De Fazio;
2018

Abstract

Modern experimental and theoretical apparatus are providing an ample spectrum of phenomenology in non-Arrhenius behavior, especially at low temperatures. Here, we present a set of phenomenological and first-principal tools to describe temperature dependence of rate constant under extreme low temperature. Illustrating case studies with the super-Arrhenius kinetics, as treatment of diffusion and viscosity supercooled and glass material; (ii) the sub-Arrhenius kinetics, with proton/hydrogen transfer in chemical reactions with astrochemistry, astrobiology, atmospheric and industrial applications; and (iii) the anti-Arrhenius kinetics, where processes with no energetic obstacles are rate-limited by molecular reorientation requirements as OH + HBX (X= Cl and Br) and F + HD elementary chemical reactions
2018
Istituto di Struttura della Materia - ISM - Sede Roma Tor Vergata
978-88-98075-27-0
non Arrhenius
kinetics
rate constants
Ultra-cold
tunneling
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/386064
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