Chemical Kinetics in Extreme conditions:exact, phenomenolical and first-principle computational approaches
Capitolo di libro
Data di Pubblicazione:
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
Tipologia CRIS:
02.01 Contributo in volume (Capitolo o Saggio)
Keywords:
non Arrhenius; kinetics; rate constants; Ultra-cold; tunneling
Elenco autori:
Aquilanti, Vincenzo; DE FAZIO, Dario
Link alla scheda completa:
Titolo del libro:
The astrochemical observatory: focus on chiral molecules