Knowledge-based probabilistic representations of branching ratios in chemical networks: The case of dissociative recombinations
- 1. Laboratoire de Chimie Physique, Univ Paris-Sud, UMR 8000, Orsay F-91405 (France)
- 2. Laboratoire Atmospheres, Milieux, Observations Spatiales, Universite de Versailles Saint-Quentin, UMR 8190, 78280 Guancourt (France)
- 3. CNRS, Orsay F-91405 (France)
Description
Experimental data about branching ratios for the products of dissociative recombination of polyatomic ions are presently the unique information source available to modelers of natural or laboratory chemical plasmas. Yet, because of limitations in the measurement techniques, data for many ions are incomplete. In particular, the repartition of hydrogen atoms among the fragments of hydrocarbons ions is often not available. A consequence is that proper implementation of dissociative recombination processes in chemical models is difficult, and many models ignore invaluable data. We propose a novel probabilistic approach based on Dirichlet-type distributions, enabling modelers to fully account for the available information. As an application, we consider the production rate of radicals through dissociative recombination in an ionospheric chemistry model of Titan, the largest moon of Saturn. We show how the complete scheme of dissociative recombination products derived with our method dramatically affects these rates in comparison with the simplistic H-loss mechanism implemented by default in all recent models.
Additional details
Identifiers
- DOI
- 10.1063/1.3479907;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 133
- Journal Issue
- 13
- Journal Page Range
- p. 134110-134110.21
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 43037462
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ATOMS; BRANCHING RATIO; COMPARATIVE EVALUATIONS; DIRICHLET PROBLEM; DISSOCIATION; HYDROCARBONS; HYDROGEN; IONS; MOON; PLANETARY ATMOSPHERES; PLASMA; PROBABILISTIC ESTIMATION; PROBABILITY; RECOMBINATION; SATURN PLANET
- Descriptors DEC
- ATMOSPHERES; BOUNDARY-VALUE PROBLEMS; CALCULATION METHODS; CHARGED PARTICLES; DIMENSIONLESS NUMBERS; ELEMENTS; EVALUATION; NONMETALS; ORGANIC COMPOUNDS; PLANETS; SATELLITES
Optional Information
- Notes
- (c) 2010 American Institute of Physics