Copolymerization of Ethylene with 1,9‐Decadiene: Part II—Prediction of Molecular Weight Distributions

• Published in: Macromolecular theory and simulations 2017-09, Vol.26 (5), p.n/a
• Main Authors: Brandão, Amanda L. T., Alberton, André L., Pinto, José Carlos, Soares, João B. P.
• Format: Article
• Language: English
• Subjects: adaptive orthogonal collocation; Computer simulation; coordination polymerization; Copolymerization; Decay rate; Ethylene; Mathematical models; Molecular weight; molecular weight distributions; Monte Carlo; Monte Carlo simulation
• ISSN: 1022-1344; 1521-3919
• DOI: 10.1002/mats.201700040

In the present work, adaptive orthogonal collocation and a Monte Carlo method are used to compute the molecular weight distributions (MWD) of ethylene/1,9‐decadiene copolymers produced with a constrained geometry catalyst. Predictions from each model are compared to each other and to the experimental MWDs, allowing for the evaluation of relative strengths and weaknesses of each mathematical modeling method. Comparisons with experimental results indicate that the rate of macromonomer incorporation in the growing polymer chains decays with the macromonomer radius of gyration. In all cases, the proposed models are able to fit appropriately the available experimental MWDs. Adaptive orthogonal collocation and Monte Carlo methods are used to compute molecular weight distributions (MWDs) of ethylene/1,9‐decadiene copoly­mers produced with constrained geometry catalysts. Model predictions are compared to experimental MWDs, showing that rates of macromonomer reincorporation in the growing chain decay with the macromonomer radius of gyration. Both proposed models fit equally well available MWDs.