A kinetic model of the combustion chemistry of a hydrogen/oxygen base name,
doped with dimethyl methylphosphonate, a useful simulant for chemical warf
are agents (CWAs), has been developed to assist in the controlled thermal d
estruction of CWA stockpiles. Laser-ionization mass spectrometry is employe
d to record concentration profiles of radical intermediates in a low-pressu
re premixed laminar Flame, These measurements, combined with ab initio esti
mates of thermochemical properties of organophosphorus compounds, lead to a
kinetic model incorporating several key reaction intermediates which inclu
de methyl metaphosphate CH3OPO2, methyl dioxophosphorane CH3PO2, and monome
thyl methylphosphonate PO(OH)(CH3)(OCH3). (C) 1998 by The Combustion Instit
ute.