A Digital Polymer Reaction Engineering Solution for Ensuring Process Safety in Polyethylene Loop Reactor Emergency Runaway

This study presents a digital polymer reaction engineering (PRE) solution to enhance process safety in industrial-scale polyethylene loop reactors by predicting temperature, pressure, and pressure safety valve (PSV) performance during emergency runaway scenarios. The model integrates Ziegler–Natta catalyst kinetics, the Sanchez–Lacombe equation of state for thermodynamic properties, and dynamic mass and energy balances to simulate reactor dynamics under conditions such as cooling system failure, jacket pump failure, and combined pump failures with outlet blockage. Validated against industrial data from the Borstar polyethylene process, the model accurately predicts temperature and pressure escalation rates as well as maximum PSV relief flow rates (up to 75 t/h in severe scenarios). The results enable the effective design and sizing of PSVs, optimizing safety systems and mitigating risks during reactor malfunctions, thereby enhancing operational reliability.