Olefin polymerization using supported metallocene catalysts: Process representation scheme and mathematical model

A mathematical model, including the main morphological features of the polymerization process, is developed to study olefin polymerization with supported metallocene catalysts. Because the relatively large amount of methyl alumoxane (MAO) usually needed as a cocatalyst represents a disadvantage, the model introduces a scheme that simulates the results of the efforts being made in a supported catalyst to reduce MAO requirements to commercially acceptable levels. Critical fragmentation steps in the initial support-catalyst particles that render all active sites effectively available to the monomer are specifically considered, on the basis of the support morphological characteristics. With the available reaction data, fragmentation representation alternatives are discussed and a scheme proposed. Then, a mathematical model is developed based on the above representation scheme, to calculate monomer-concentration, temperature, and macroparticle-size evolutions. The main features of the scheme are displayed and discussed. Both for laboratory and high-productivity conditions, the model is used to predict changes in macro- and microparticle size, porosity, and concentration distribution. Predictions are employed to evaluate the impact of the initial support microparticle arrangement and fragmentation processes on the overall catalyst performance. Polymer yield, concentration profiles, and temperature transients predicted by the model are presented, showing the model application after verifying its accordance with the available experimental data. (C) 2001 John Wiley & Sons, Inc.