Multiscale Modeling for Process Safety Applications

3.7. Reaction Rate

As demonstrated in the previous section, estimation of heat of reaction addresses one of the significant factors related to reactivity of a chemical. However, it is not a sufficient criterion for determination of reactivity hazard. To determine the information related to rate of change of temperature in a chemical reaction, identify the existence and the onset of thermal runaway in a reaction, calculate instant power density and to investigate time–temperature–pressure graph, one also needs to determine the reaction rate as a function of temperature, concentration, and pressure. In other words: $r=f\left(\zeta ,T,P\right)$ where $\zeta ,T,\text{and}P$ are ...