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 reactionsI documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.