Modeling of the Methyl Methacrylate Atom Transfer Radical Suspension Polymerization Process: Polymerization and Particle Kinetics

摘要

In this work, a mathematical model is developed to characterize the batch atom transfer radical suspension polymerization (batch suspension ATRP). For the fi rst time, the morphological and molecular properties of particles, as well as their dynamics in methyl methacrylate ATRP can be simultaneously simulated by solving the model that consists of ATRP kinetic equations, moment equations, a phase equilibrium equation for calculating equilibrium monomer distributions in various phases, and a particle population balance model. The proposed model is verifi ed using the open experimental data. Based on the verified model, two key operating factors including the ratios of monomer to initiator and water to monomer are studied in order to investigate the batch suspension ATRP kinetics. In addition, the model is also used to predict the droplet/particle size distribution. The effects of breakage rate, coalescence rate, and agitation speed on the droplet volume density distribution and the Sauter mean diameter are discussed in details. The simulated results demonstrate that the coupled model can describe the batch suspension ATRP kinetics and its droplet kinetics.