Combustion and Flame, Vol.117, No.1-2, 78-98, 1999
Kinetic model for the decomposition of DMMP in a hydrogen/oxygen flame
A kinetic model of the combustion chemistry of a hydrogen/oxygen base name, 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).
Keywords:CHEMI-LUMINESCENT REACTIONS;MASS-SPECTROMETRY;PHOTOELECTRON-SPECTROSCOPY;DIMETHYL METHYLPHOSPHONATE;PHOSPHORUS-COMPOUNDS;HAZARDOUS WASTES;PHOTOIONIZATION;IONIZATION;MOLECULES;THERMOCHEMISTRY