Simulation of pilot- and industrial-scale vinyl chloride batch suspension polymerization reactors

A complete model for the simulation of vinyl chloride batch suspension polymerization reactors, capable of calculating pilot-scale and industrial-scale reactors, is developed. The model solves the mass balances and moment equations, on one hand, and the energy balances for the suspension, reactor wall, and cooling jacket fluid on the other hand. The controller loop, which determines the flow rate or temperature of the cooling liquid, is also included. The kinetic model is based on calculated diffusional contributions and experimentally estimated intrinsic rate coefficients. [T. De Roo et al., Macromol. Symp. 2004, 206, 215; T. De Roo et al. Polymer 2005, 46, 8340.] This extended set of equations allows calculation of the monomer conversion, the moments of the molecular mass distribution, the reactor temperature and pressure, the cooling agent flow rate and temperature profiles, and possible thermal runaway and/or reactor vessel explosions. Simulated and experimental results for the pilot-scale reactor are in good agreement.