A structural model for the catalytic polymerization of ethylene using chromium catalysts. Part I: Description and solution

摘要: A mathematical model for the polymerization of ethylene using silica-supported chromium catalysts is presented. The fundamentals physical and chemical representation phenomenon are detailed. emerging problem attached solved a multiple moving-boundary numerical scheme. Predictions made cases low high activity tested by experiments, results used to evaluate model. main feature its structural nature : catalyst characterization morphology data create scheme that does not require assumptions concerning particle geometry, usually in models. initial fragmentation process modeled pore-structure based upon porosimetry data. whole sequence treated as set steps follow actual rupture solid into fragments with irregular shapes. Parameters evaluated from support, time evolution followed realistic interpretation pore filling process. novel application solution techniques permits relatively simple handle transport reaction processes take place polymerizing particle. Only obtained experimental laboratory conditions analyzed. In subsequent parts, case thermal effects typical industrial will be discussed. excellent agreement