Modeling of Suspension Vinyl Chloride Polymerization: From Kinetics to Particle Size Distribution and PVC Grain Morphology

On the prediction of suspension viscosity, grain morphology, and agitation power in SPVC reactors

“…A detailed description of the various kinetic and grain morphology models of the SPVC simulator can be found in the original publications of Kiparissides and co-workers. [6,11,[13][14][15][16]18,19] In the present study, a new series of sub-models are developed to calculate the agitation power in SPVC reactors in terms of polymerization recipe and reactor conditions, suspension viscosity of the dispersion, interfacial tension of monomer-water system, PSD, grain morphology (i.e., particle shape, sphericity) in industrial SPVC reactors (see Table 1). These new developments are described in our present contribution, which is organized as follows.…”

“…One of the most important issues in the suspension polymerization process is the control of the final PSD. [14,15,[17][18][19][20][21] Note that the initial monomer droplet size distribution (DSD) and the final polymer PSD do in general depend on the type and concentration of the primary and secondary stabilizers, the intensity of agitation, the physical properties (e.g., density, viscosity, and interfacial tension) of the continuous aqueous and dispersed monomer phases, the polymerization rate, and the heat load of the overhead condenser.…”

“…As a result of the above mechanism, the polymerizing VCM droplets lose their viscous characteristics at relatively low monomer conversions, while at larger monomer conversions (e.g., X > 30%) they behave like rigid spheres due to the presence of an internal continuous 3D polymer skeleton. [16,18]…”

“…A review of the key kinetic and morphological developments in suspension VCM polymerization can be found in the literature. [2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17] In a recent review paper by Kiparissides, [18] a comprehensive multi-scale, multi-phase mathematical modelling framework was described to follow the time variation of polymerization rate, average molecular weights, and morphological properties (i.e., particle size distribution [PSD] and grain porosity) of PVC produced in batch suspension polymerization reactors.…”

A Joint Computer-Aided Simulation and Water-Energy-Product (WEP) Approach for Technical Evaluation of PVC Production

“…Kiparissides et al [10] developed an integrated multiscale, multiphase model to describe the dynamic operation of PVC suspension polymerization and the properties of the polymer generated in a batch reactor through a detailed mathematical formulation of macro/microscopic phenomena and a population balance model. Kiparissides et al [11] also developed software to model the dynamic behavior of suspension polymerization in a batch reactor using a mathematical approach considering reaction kinetics, thermodynamics and reactor parameters such as geometry and controllability.…”