Experimental and computational studies of the gas-phase reaction of halon 1211 with hydrogen

Hai Yu, Eric M. Kennedy, Azhar Uddin, Simon P. Sullivan, Bogdan Z. Dlugogorski

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

The gas-phase reaction of halon 1211 (CBrClF2) with hydrogen has been studied experimentally at atmospheric pressure in a plug flow, isothermal reactor over the temperature range of 673 to 973 K, at residence times ranging from 0.5 to 2.5 s with an input ratio of N2:H2:halon 1211 of 19:10:1. The major carbon containing products include CHClF2, CHBrF2, CH2F2, and CH4. Gas-phase reactions of CHClF2, CCl2F2, and CH 2F2 with hydrogen are also investigated under the conditions similar to those for halon 1211 hydrodehalogenation, and the results are used to assist in understanding the mechanism of the reaction of halon 1211 with hydrogen. A kinetic reaction scheme involving 90 species and 430 reaction steps is developed and used to model the halon 1211 hydrodehalogenation reaction. Generally, satisfactory agreement between experimental and computational results is obtained for the production of major species. Using the software package AURORA, the reaction pathways leading to the formation of major products are elucidated. It has been found that the reaction steps involving CF2 are responsible for the formation of CH4.

Original languageEnglish
Pages (from-to)3020-3028
Number of pages9
JournalEnvironmental Science and Technology
Volume39
Issue number9
DOIs
Publication statusPublished - May 1 2005
Externally publishedYes

Fingerprint

Halon
gas phase reaction
Hydrogen
Gases
hydrogen
reaction kinetics
atmospheric pressure
residence time
software
Reaction kinetics
Software packages
carbon
Atmospheric pressure
Carbon
bromochlorodifluoromethane
temperature
product

ASJC Scopus subject areas

  • Environmental Engineering
  • Environmental Science(all)
  • Environmental Chemistry

Cite this

Experimental and computational studies of the gas-phase reaction of halon 1211 with hydrogen. / Yu, Hai; Kennedy, Eric M.; Uddin, Azhar; Sullivan, Simon P.; Dlugogorski, Bogdan Z.

In: Environmental Science and Technology, Vol. 39, No. 9, 01.05.2005, p. 3020-3028.

Research output: Contribution to journalArticle

Yu, Hai ; Kennedy, Eric M. ; Uddin, Azhar ; Sullivan, Simon P. ; Dlugogorski, Bogdan Z. / Experimental and computational studies of the gas-phase reaction of halon 1211 with hydrogen. In: Environmental Science and Technology. 2005 ; Vol. 39, No. 9. pp. 3020-3028.
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