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).
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Werner et al. (1999) studied this question.
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