Nonisothermal Modeling and Sensitivity Studies for Batch and Semibatch Emulsion Polymerization of Styrene

Abstract

This work reports the development of a simulation model for batch, semibatch, or continuous emulsion polymerization of styrene under nonisothermal conditions. We demonstrate the use of the model to explore methods for controlling the particle size distribution. Sensitivity results suggest that accurate identification of model parameters from online data requires operation in semibatch rather than purely batch mode. The extensions to the nonisothermal case represent a significant step forward in the development of recipes for batch or semibatch polymerization in which temperature can be manipulated to achieve final product specifications. Our model is based on the zero−one population balance model of Coen et al. (Polymer 1998, 39, 7099-7112) extended to the nonisothermal, semibatch case. The model will be used for control studies and as a step toward online model-based control of semibatch polymerization reactors.

A Novel Method to Model Emulsion Polymerization Kinetics: The Explicit Radical-Particle Size Distribution Approach

“…(21). (18) and (19) transform into: Essentially, k t Á D f describes an effective termination rate, which enables the use of overall chain concentrations to solve the chain length distribution for emulsion polymerization.…”

Is Modeling the PSD in Emulsion Polymerization a Finished Problem? An Overview

“…More recently, Abedini and Shahrokhi modified Coen's model to account for the effect of the aqueous phase ionic strength on the CMC using an empirical expression similar to the expression presented in Meadows et al The parameters of the CMC model were fitted to PSD data from two experimental runs, rather than CMC measurement data, as was done in Meadows' work. The model was shown to correctly predict the effects of temperature and initiator and surfactant concentrations on the evolution of conversion and the final PSD.…”

Inferential closed‐loop control of particle size and molecular weight distribution in emulsion polymerization of styrene

“…In a semi‐batch reactor, material balances for monomer and CTA are given by: During intervals I and II, concentration of monomer in the polymer particles and aqueous phase is constant at its equilibrium saturation level. In interval III, monomer droplets are no longer present and monomer is distributed between aqueous and particle phases [25]. It is assumed that in interval III of polymerization, monomer splits between the aqueous and particle phases with the same partition coefficient as equilibrium condition.…”