Atom recombination in dense gases and fluids-a stochastic model

Mark G. Sceats; Judith M. Dawes; David P. Millar

doi:10.1016/0009-2614(85)85056-9

Atom recombination in dense gases and fluids-a stochastic model

Mark G. Sceats^*, Judith M. Dawes, David P. Millar

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

16 Citations (Scopus)

Abstract

A stochastic model of the bimolecular atom recombination rate is developed and applied to iodine recombination in gaseous and liquid ethane. The data required are features of the potential surfaces and a model of the density dependent friction of an isolated atom. The stochastic model correctly predicts the roll-over of the recombination rate with density without recourse to the complexities of configurational models in which the mechanisms, thermodynamics and kinetics of clusters are required.

Original language	English
Pages (from-to)	63-70
Number of pages	8
Journal	Chemical Physics Letters
Volume	114
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(85)85056-9
Publication status	Published - 15 Feb 1985
Externally published	Yes

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title = "Atom recombination in dense gases and fluids-a stochastic model",

abstract = "A stochastic model of the bimolecular atom recombination rate is developed and applied to iodine recombination in gaseous and liquid ethane. The data required are features of the potential surfaces and a model of the density dependent friction of an isolated atom. The stochastic model correctly predicts the roll-over of the recombination rate with density without recourse to the complexities of configurational models in which the mechanisms, thermodynamics and kinetics of clusters are required.",

author = "Sceats, \{Mark G.\} and Dawes, \{Judith M.\} and Millar, \{David P.\}",

year = "1985",

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journal = "Chemical Physics Letters",

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T1 - Atom recombination in dense gases and fluids-a stochastic model

AU - Sceats, Mark G.

AU - Dawes, Judith M.

AU - Millar, David P.

PY - 1985/2/15

Y1 - 1985/2/15

N2 - A stochastic model of the bimolecular atom recombination rate is developed and applied to iodine recombination in gaseous and liquid ethane. The data required are features of the potential surfaces and a model of the density dependent friction of an isolated atom. The stochastic model correctly predicts the roll-over of the recombination rate with density without recourse to the complexities of configurational models in which the mechanisms, thermodynamics and kinetics of clusters are required.

AB - A stochastic model of the bimolecular atom recombination rate is developed and applied to iodine recombination in gaseous and liquid ethane. The data required are features of the potential surfaces and a model of the density dependent friction of an isolated atom. The stochastic model correctly predicts the roll-over of the recombination rate with density without recourse to the complexities of configurational models in which the mechanisms, thermodynamics and kinetics of clusters are required.

UR - https://www.scopus.com/pages/publications/46549102598

U2 - 10.1016/0009-2614(85)85056-9

DO - 10.1016/0009-2614(85)85056-9

M3 - Article

AN - SCOPUS:46549102598

SN - 0009-2614

VL - 114

SP - 63

EP - 70

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1

ER -

Atom recombination in dense gases and fluids-a stochastic model

Abstract

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