Identification of kinetic models for the assessment of reaction hazards

The assessment, control, and mitigation of reaction hazards is primarily based on the use of kinetic models. These kinetic models are used for the assessment of reaction hazards, the operation and control of the reactor, the design of emergency relief systems, estimation of the consequences of a reaction runaway, etc. The validity of these assessments depends highly on the validity of the kinetic model employed. Several steps are required to identify a suitable kinetic model. This includes: Selection of the model type. Estimation of the model's parameters using available data. Validation of the model. This article discusses each of these steps in detail and identifies problems associated with each step. Several practical examples are used to demonstrate these problems. The results show that (1) the results are sensitive to a number of assumptions, (2) mistakes may originate from misinterpretation of the thermal data, and (3) computational methods do exist to provide suitable kinetic models for hazard assessment. The analysis employed assumes a batch-reaction system, since most of the kinetic data available is derived from batch calorimetric equipment.