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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
Autori di Ateneo:
DE FAZIO DARIO
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/386064
Titolo del libro:
The astrochemical observatory: focus on chiral molecules
Pubblicato in:
RENDICONTI - ACCADEMIA NAZIONALE DELLE SCIENZE DETTA DEI XL. MEMORIE DI SCIENZE FISICHE E NATURALI
Journal
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