Fundamental Study on Inhitibiting Exothermic Reactions Under Adverse Conditions

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Exothermic reactions are used in the chemical, petrochemical, and pharmaceutical industries. Control of these reactions is important because the loss of control can lead to thermal runaways, which can cause accidents with environmental damage, injuries, and sometimes fatalities. A way for dealing with runaway reactions is inhibition which involves injecting small quantities of an inhibitor into a reactor or storage vessel at the earliest stage of a runaway.This project will focus on the study of reaction rates, temperatures, and pressures under adverse conditions, such as loss of cooling, loss of agitation, and unusual kinetics. The studies will use (1) a new simulation model with three mixing zones to characterize runaway reactions with perfect mixing versus imperfect mixing, (2) computational fluid dynamics models to copmater the effects of agitation under turbulent and micromixing conditions, and (3) design of experiment (DOE) methods to effectively identify methods to inhibit runaways. The results will ultimately also be used to highlight future problems and limitations when reactions are faster and reactors are smaller.Impact:Knowledge created by this project could ultimately improve the chemical industry's safety performance and image. In addition, the PIs plan to develop chemical process safety educational material for use in undergraduate chemical engineering courses, a mechanism for introducing safety related issues into the curriculum.