Literature DB >> 19863107

A semiempirical capture model for fast neutral reactions at low temperature.

Alexandre Faure1, Véronique Vuitton, Roland Thissen, Laurent Wiesenfeld.   

Abstract

The description of Titan's chemistry relies strongly on reaction rate data collected at room temperature or above. However, the temperature in the atmosphere of Titan ranges from 70 to 200 K. We describe here a simple theoretical method to extend the available measurements toward those temperatures. It is based on the long-range capture theory combined with room temperature data. First results are presented for 28 neutral reactions involving atomic carbon, CN, CH, and C(2)H radicals and are compared to low-temperature Cinétique de Réaction en Ecoulement Supersonique Uniforme measurements. A good agreement is observed, to within a factor of 2, for most reactions in the temperature range 13-295 K. Predictions are made for reactions of the CN radical with hydrocarbons and nitriles of particular importance in Titan's atmosphere.

Entities:  

Year:  2009        PMID: 19863107     DOI: 10.1021/jp905609x

Source DB:  PubMed          Journal:  J Phys Chem A        ISSN: 1089-5639            Impact factor:   2.781


  1 in total

1.  Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction.

Authors:  Emília Valença Ferreira de Aragão; Luca Mancini; Noelia Faginas-Lago; Marzio Rosi; Dimitrios Skouteris; Fernando Pirani
Journal:  Molecules       Date:  2022-04-01       Impact factor: 4.411

  1 in total

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