Development of a multi-scale, multi-phase, multi-zone dynamic model for the prediction of particle segregation in catalytic olefin polymerization FBRs

A comprehensive multi-scale, multi-phase, multi-compartment dynamic model is developed to analyze the extent of particle segregation in catalytic, gas-phase ethylene–propylene copolymerization fluidized bed reactors (FBRs). From the numerical solution of the proposed integrated model, the temporal-spatial evolution of the morphological (i.e., particle size distribution, PSD) and molecular (i.e., molecular weight distribution, MWD) polymer properties in a catalytic polymerization FBR can be predicted. In particular, the polymer molecular properties are determined by employing a generalized multi-site, Ziegler–Natta kinetic scheme. To determine the growth of a single catalyst/polymer particle, the random pore polymeric flow model (RPPFM) is utilized. The RPPFM is solved together with a dynamic discretized particle population balance equation (PBE) to calculate the dynamic evolution of PSD in the various compartments of the FBR. Moreover, overall dynamic mass and energy balances are derived in order to assess the dynamic behavior of catalytic gas-phase FBRs. The effects of various fluidized bed operating conditions (e.g., fluidization gas velocity, temperature and catalyst feed rate) on the morphological and molecular distributed polymer properties are thoroughly analyzed.