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Knowledge-based probabilistic representations of branching ratios in chemical networks: The case of dissociative recombinations
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10.1063/1.3479907
/content/aip/journal/jcp/133/13/10.1063/1.3479907
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/13/10.1063/1.3479907

Figures

Image of FIG. 1.
FIG. 1.

Tree structure of the putative products for the DR of . The first level implements available experimental data about the carbon fragmentation pattern (Ref. 16); deeper levels are built according to a list of exoergic channels and the list of species involved in the chemical system of interest. The deep tree structure presented here is obtained according to a heuristic explained in the text.

Image of FIG. 2.
FIG. 2.

(a) Visualization of the simplex in a three-dimensional space and alternative representations of a sample of the uniform distribution within this simplex: (b) ternary graph, (c) parallel graph, and (d) boxplots for the one-dimensional marginal densities , .

Image of FIG. 3.
FIG. 3.

Decision tree for the choice of a Dirichlet-type distribution.

Image of FIG. 4.
FIG. 4.

Ternary (left) and parallel (right) graphs of samples of Dirichlet-type distributions for a set of three branching ratios to represent the following information , , and : (a) Diri(0.3,0.5,0.2;13.7), (b) Dirg(0.3,0.5,0.2;0.3,0.04,0.01), and (c) Diut([0.00,1.00],[0.38,0.62],[0.17,0.23]).

Image of FIG. 5.
FIG. 5.

Dirichlet distributions for a set of three branching ratios when only ordering information is available: Dior(3).

Image of FIG. 6.
FIG. 6.

Comparison of two representations for the consolidation of complementary branching ratios information (see text for details): (a) and (b) .

Image of FIG. 7.
FIG. 7.

Samples of uncertain branching ratios for some species of interest: [(a) and (b)] with nested Dirg and [(c) and (d)] with nested (c) Dirg and (d) one-level Dirg.

Image of FIG. 8.
FIG. 8.

Influence of the nesting pattern on the distribution of branching ratios for the DR of ; (blue/light) flat representation of the subchannels; (green/dark) nesting of auxiliary information.

Image of FIG. 9.
FIG. 9.

Comparison of branching ratios for the DR of , as measured (dark green boxplots) and recovered from an aggregated version of these data (light blue boxplots).

Image of FIG. 10.
FIG. 10.

Comparison of the production rates of neutral species between different DR model implementations: (brown) ratio between the nested and flat versions of the “full” model (see text); (blue) ratio between the full and “H-loss” models. The gray zone depicts the intrinsic dispersion due to the Monte Carlo estimation of production rates ratios: symmetric 50% probability interval for the ratio estimated from two independent samples.

Tables

Generic image for table
Table I.

Comparison of the DR treatment of Krasnopolsy (Ref. 37) and the available literature for some representative ions.

Generic image for table
Table II.

Peak assignment of the T19 flyby. Spectrum values taken from Ref. 89 and assignment from Ref. 98. In absence of data about their DR, species in italics have not been considered in the model.

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/content/aip/journal/jcp/133/13/10.1063/1.3479907
2010-10-05
2014-04-21
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Knowledge-based probabilistic representations of branching ratios in chemical networks: The case of dissociative recombinations
http://aip.metastore.ingenta.com/content/aip/journal/jcp/133/13/10.1063/1.3479907
10.1063/1.3479907
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