In‐silico vinyl chloride suspension polymerization: Kinetic modelling, thermal runaway prediction, and prevention

Abstract

In the present study, a combined kinetic and heat transfer model was developed to study the kinetics and predict thermal runaway of vinyl chloride (VC) suspension polymerization. Reactor temperature, monomer conversion, mole of initiator, radical concentrations in the two phases (i.e., VC‐rich phase and PVC‐rich phase), and average molecular properties were mapped during non‐isothermal processes. Meanwhile, the risk of thermal runaway was evaluated using S–Z (divergence) and H–J criteria. Simulation results show that a lower jacket temperature Tj and a larger heat transfer coefficient U are able to postpone or even avoid the risk of thermal runaway. Both of the criteria serve well for the prediction of thermal runaway during non‐isothermal processes. To prevent the occurrence of thermal runaway to the greatest extent, model‐based design of strategies for an isothermal polymerization process was done. Specifically, either jacket temperature Tj or heat transfer coefficient U can be fine‐tuned to maintain a 50°C isothermal process.

Bibliometric and Co-Occurrence Study of Process System Engineering (PSE) Applied to the Polyvinyl Chloride (PVC) Production

“…Han et al [105] presented the development of a comprehensive kinetic and heat transfer model to investigate the kinetics and predict the thermal runaway in VCM suspension polymerization. Through mapping the reactor temperature, monomer conversion, initiator moles, radical concentrations in both VC-rich and PVC-rich phases, and average molecular properties during non-isothermal processes, the study evaluates the risk of thermal runaway using S-Z (divergence) and H-J criteria, indicating that a lower jacket temperature (T j ) and a larger heat transfer coefficient (U) can effectively delay or even prevent thermal runaway.…”