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Modeling of ethylene copolymerizations with acrylate monomers
Author(s) -
Becker Philipp,
Busch Markus
Publication year - 1998
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/(sici)1521-3919(19980701)7:4<435::aid-mats435>3.0.co;2-9
Subject(s) - copolymer , monomer , acrylate , methyl acrylate , butyl acrylate , work (physics) , polymer chemistry , polymer , materials science , transferability , thermodynamics , ethylene , polymer science , chemistry , computer science , organic chemistry , physics , composite material , catalysis , logit , machine learning
In this work simulation calculations are presented describing the copolymerization of ethylene with acrylate monomers using sets of independently determined rate coefficients. The reaction scheme of the copolymerization which is implemented is derived logically from that of homopolymerizations. The simulation results are directly compared to experimental data achieved at 150°C and 2 000 bar in an almost ideally mixed vessel. Using the model without modification for copolymerizations with methyl acrylate and butyl acrylate the transferability was successfully tested. Both facts are in contrast to several studies presented in literature. Commonly at least some rate coefficients are adjusted and the model implementation is not standardized, especially when dealing with transfer to polymer reactions. Conversion, species concentrations and copolymer composition are well captured by the simulation model for an ideally mixed copolymerization vessel at several operation conditions using a uniform parameter set. This works out for both copolymerization systems. With respect to the molecular weight distribution based on the available data an estimation is possible. It is pointed out that for a precise description of the polymer properties the simulation model has to be refined. An important aspect for this purpose is to find sensors, enabeling the independent determination of the required rate coefficients.