New method estimates the parameters for evaluating process reactivity hazards

06/23/2003
A new method of evaluating process hazards combines experimental thermal analysis, computational chemistry methods, and thermodynamic-energy relationships. This results in a better understanding of reaction stoichiometry for a given process, which allows better estimates of system thermodynamics and kinetics that are necessary to evaluate hazards of runaway reactions due to chemical reactivities.Identifying the major reaction pathways provides the most important information, namely pressure and heat hazards due to a loss of control leading to thermal or physical system failure.The new method focuses research on the most likely and most hazardous reaction stoichiometry and reduces the need...
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