On the temperature dependence of the rate coefficient of formation of C2+ from C + CH+


Autoria(s): Rampino, Sergio; Pastore, Mariachiara; García Para, Ernesto; Pacifici, Leonardo; Laganà, Antonio
Data(s)

24/06/2016

24/06/2016

24/06/2016

Resumo

[EN] We carry out quasi-classical trajectory caculations for theC + CH+ → C2+ + H reaction on an ad hoc computed high-level ab initio potential energy surface. Thermal rate coefficients at the temperatures of relevance in cold interstellar clouds are derived and compared with the assumed, temperature-independent estimates publicly available in kinetic databases KIDA and UDfA. For a temperature of 10 K the database value overestimates by a factor of two the one obtained by us (thus improperly enhancing the destruction route of CH+ in astrochemical kinetic models) which is seen to double in the temperature range 5–300 K with a sharp increase in the first 50 K. The computed values are fitted via the popular Arrhenius–Kooij formula and best-fitting parameters α = 1:32 X 10-9 cm3s-1, β = 0:10 and γ = 2:19 K to be included in the online mentioned databases are provided. Further investigation shows that the temperature dependence of the thermal rate coefficient better conforms to the recently proposed so-called ‘deformed Arrhenius’ law by Aquilanti and Mundim.

Identificador

http://hdl.handle.net/10810/18495

Idioma(s)

eng

Direitos

© 2015 The Authors

info:eu-repo/semantics/openAccess

Palavras-Chave #molecules #astrochemistry #molecular data #molecular processes
Tipo

info:eu-repo/semantics/preprint