To React Or Not To React? – Tis’a Fuelish Question!

Smoke/fume measurements from rapid transitory charge reactions are not wholly comparable with thermodynamic reaction code (TDRC) results, since quenched chemical reactions yield nonequilibrium concentrations. Though the work output and major reaction products are usually rendered with minor deviations, the toxic fumes and other minor concentrations reveal some major discrepancies. Work output for charge formulations in underwater or fixture tests were theoretically resolved with work-principal models that form a rough thermodynamic trajectory. Stalled nonequilibrium concentrations are rationalized by finding the underlying quenched reaction(s). The wide relevance of the Zeldovich radical-chain mechanism that transforms nitrogen oxide was previously recognized. The work-principal model (WPM) represents reaction quenching with off-trajectory constraints to render the fumes, without noticeably readjusting the work process. When restraints that characterize the confinement are WPM tractable, the resolution of critical reaction mechanisms is worthwhile, since they remain useful, regardless of the rich, neutral or lean stoichiometry of the charge formulation.