Macromolecular Reaction Engineering

Early View (Online Version of Record published before inclusion in an issue)

Editors: Stefan Spiegel, Kirsten Severing

Online ISSN: 1862-8338

Associated Title(s): Macromolecular Chemistry and Physics, Macromolecular Materials and Engineering, Macromolecular Rapid Communications, Macromolecular Theory and Simulations

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Feature Articles
1. Parameter Selection and Estimation Techniques in a Styrene Polymerization Model
  John D. Woloszyn, Pascal Hesse, Klaus-Dieter Hungenberg and Kimberley B. McAuley
  Article first published online: 10 APR 2013 | DOI: 10.1002/mren.201200074
  A literature review of efforts to model the polymerization of styrene under industrial manufacturing conditions is presented. A formal statistical approach is used to select and estimate model parameters and model predictions are compared with literature data obtained using dicumyl peroxide and benzoyl peroxide initiators. Industrial polymerization data are used to validate the model.
Full Papers
1. Ethylene/1-Hexene Copolymerization with A Novel SiO₂-Supported Inorganic and Organic Hybrid Chromium-based Catalyst
  Shiliang Zhang, Ruihua Cheng, Qi Dong, Xuelian He, Quntao Wang, Yan Tang, Yongling Yu, Kan Xie, Jianwen Da, Minoru Terano and Boping Liu
  Article first published online: 10 APR 2013 | DOI: 10.1002/mren.201200075
  Ethylene/1-hexene copolymerization with a novel SiO₂-supported hybrid chromium-based catalyst is investigated. This catalyst is prepared using the residual surface hydroxyl groups in Phillips catalyst to support bis(triphenylsilyl) chromate in order to attain the merits of two important chromium-based catalysts, namely inorganic Phillips and organic S-2 catalysts. The copolymer shows better short chain branch distribution.
2. Kinetics and Modeling of Methacrylic Acid Radical Polymerization in Aqueous Solution
  Nils F. G. Wittenberg, Michael Buback and Robin A. Hutchinson
  Article first published online: 10 APR 2013 | DOI: 10.1002/mren.201200089
  Kinetics of methacrylic acid radical polymerization in aqueous solution, with chain transfer by 2-mercaptoethanol, are measured and modeled with the dependence of termination rate on radical chain length, on monomer conversion, and on polymer molar mass being taken into account. PREDICI simulation allows for an adequate representation of measured monomer conversion vs. time profiles.
Special Article Series - Full Papers
1. Controlling Polyolefin Properties by In-Reactor Blending: 3. Mechanical Properties
  Martin Ruff, Reinhold W. Lang and Christian Paulik
  Article first published online: 10 APR 2013 | DOI: 10.1002/mren.201200077
  The effects of multi-stage (slurry) polymerization on mechanical properties of in-reactor blended UHMW-PE materials is presented, and it is shown that due to a controlled polymerized particle morphology, mechanical properties, such as impact properties can be regulated.
2. Analysis of Slurry-Phase Co-Polymerization of Ethylene and 1-Butene by Ziegler–Natta Catalysts Part 1: Experimental Activity Profiles
  John T. McCoy, Joao B. P. Soares and Randhir Rawatlal
  Article first published online: 13 MAR 2013 | DOI: 10.1002/mren.201200078
  The activity of Ziegler–Natta catalysts for ethylene polymerization is studied, and a method developed to extract meaningful kinetic parameters from experimental data. Four model parameters are required to reproduce polymerization rate profiles for a range of laboratory experimental conditions.
Full Papers
1. Mathematical Model of Polyether Production From 1,3-Propanediol
  Wei J. Cui, Kimberley B. McAuley, Ralph A. Whitney, Rupert E. Spence and Tuyu Xie
  Article first published online: 21 JAN 2013 | DOI: 10.1002/mren.201200068
  A dynamic model simulates condensation polymerization of 1, 3-propanediol to produce polyether. The reaction mechanism accounts for the effect of super-acid catalyst. Parameters are estimated from batch reactor data. The model predicts time evolution of degree of polymerization and degraded ends. Concentrations of water, monomer, and propanal in the liquid phase and evaporation rates of these species are predicted.