Evaluation of Styrene-Acrylonitrile Copolymerization Thermal Stability and Runaway Behavior

Abstract

Evaluation of thermal stability and runaway behavior of any exothermic chemical reaction is of great importance to the design and operation of a chemical process. The evaluation process should be based on a thorough investigation of the reaction chemistry including reaction pathways, thermodynamic, and kinetic parameters. When addressing the reactivity hazards of any reaction, the dominant pathway(s) should be identified. Identifying the main reaction pathway under specific conditions will lead to a better thermodynamic and kinetic characterization of the reaction. In this paper the styrene-acrylonitrile copolymerization reaction in bulk is evaluated for its thermal stability and runaway behavior. Traditional thermal analysis techniques (calorimetric analysis) are combined with computational quantum chemistry methods and empirical thermodynamic-energy correlations. Reaction pathways are identified from the theoretical approach and verified by experimental measurements. The results of this analysis are compared to literature data for this system.