The Application of a High Temperature Chemical Equilibrium Program for Assessing Combustion and Other Chemical Reactivity Hazards

DuPont uses a high temperature thermodynamics program  to predict the final equilibrium state of a chemical reaction.  The program can be used to calculate the final pressure of a closed system, equilibrium temperature, and number of moles generated.  The worst case ingredient composition can be determined (e.g. determining the optimal fuel/oxidant composition that will give the worst case deflagration pressure in a closed vessel).  The program will help determine if a vessel could exceed its burst pressure.  Results from a combustion reaction and a decomposition reaction will be presented.