Kinetic model for the decomposition of DMMP in a hydrogen/oxygen flame

James H. Werner; Terrill A. Cool

doi:10.1016/S0010-2180(98)00101-1

Kinetic model for the decomposition of DMMP in a hydrogen/oxygen flame

James H. Werner
, Terrill A. Cool

Los Alamos National Laboratory

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

99 Scopus citations

Abstract

A kinetic model of the combustion chemistry of a hydrogen/oxygen base flame, doped with dimethyl methylphosphonate, a useful simulant for chemical warfare agents (CWAs), has been developed to assist in the controlled thermal destruction of CWA stockpiles. Laser-ionization mass spectrometry is employed to record concentration profiles of radical intermediates in a low-pressure premixed laminar flame. These measurements, combined with ab initio estimates of thermochemical properties of organophosphorus compounds, lead to a kinetic model incorporating several key reaction intermediates, which include methyl metaphosphate CH₃OPO₂, methyl dioxophosphorane CH₃PO₂, and monomethyl methylphosphonate PO(OH)(CH₃)(OCH₃).

Original language	English
Pages (from-to)	78-98
Number of pages	21
Journal	Combustion and Flame
Volume	117
Issue number	1-2
DOIs	https://doi.org/10.1016/S0010-2180(98)00101-1
State	Published - Apr 1 1999

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10.1016/S0010-2180(98)00101-1

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title = "Kinetic model for the decomposition of DMMP in a hydrogen/oxygen flame",

abstract = "A kinetic model of the combustion chemistry of a hydrogen/oxygen base flame, doped with dimethyl methylphosphonate, a useful simulant for chemical warfare agents (CWAs), has been developed to assist in the controlled thermal destruction of CWA stockpiles. Laser-ionization mass spectrometry is employed to record concentration profiles of radical intermediates in a low-pressure premixed laminar flame. These measurements, combined with ab initio estimates of thermochemical properties of organophosphorus compounds, lead to a kinetic model incorporating several key reaction intermediates, which include methyl metaphosphate CH3OPO2, methyl dioxophosphorane CH3PO2, and monomethyl methylphosphonate PO(OH)(CH3)(OCH3).",

author = "Werner, \{James H.\} and Cool, \{Terrill A.\}",

year = "1999",

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doi = "10.1016/S0010-2180(98)00101-1",

language = "English",

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T1 - Kinetic model for the decomposition of DMMP in a hydrogen/oxygen flame

AU - Werner, James H.

AU - Cool, Terrill A.

PY - 1999/4/1

Y1 - 1999/4/1

N2 - A kinetic model of the combustion chemistry of a hydrogen/oxygen base flame, doped with dimethyl methylphosphonate, a useful simulant for chemical warfare agents (CWAs), has been developed to assist in the controlled thermal destruction of CWA stockpiles. Laser-ionization mass spectrometry is employed to record concentration profiles of radical intermediates in a low-pressure premixed laminar flame. These measurements, combined with ab initio estimates of thermochemical properties of organophosphorus compounds, lead to a kinetic model incorporating several key reaction intermediates, which include methyl metaphosphate CH3OPO2, methyl dioxophosphorane CH3PO2, and monomethyl methylphosphonate PO(OH)(CH3)(OCH3).

AB - A kinetic model of the combustion chemistry of a hydrogen/oxygen base flame, doped with dimethyl methylphosphonate, a useful simulant for chemical warfare agents (CWAs), has been developed to assist in the controlled thermal destruction of CWA stockpiles. Laser-ionization mass spectrometry is employed to record concentration profiles of radical intermediates in a low-pressure premixed laminar flame. These measurements, combined with ab initio estimates of thermochemical properties of organophosphorus compounds, lead to a kinetic model incorporating several key reaction intermediates, which include methyl metaphosphate CH3OPO2, methyl dioxophosphorane CH3PO2, and monomethyl methylphosphonate PO(OH)(CH3)(OCH3).

UR - https://www.scopus.com/pages/publications/0032928053

U2 - 10.1016/S0010-2180(98)00101-1

DO - 10.1016/S0010-2180(98)00101-1

M3 - Article

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VL - 117

SP - 78

EP - 98

JO - Combustion and Flame

JF - Combustion and Flame

IS - 1-2

ER -

Kinetic model for the decomposition of DMMP in a hydrogen/oxygen flame

Abstract

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