Macromolecular Reaction Engineering

Cover image for Vol. 8 Issue 4

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


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  1. Full Papers

    1. Particle Behavior in FBRs: A Comparison of the PBM–CFD, Multi-Scale CFD Simulation of Gas–Solid Catalytic Propylene Polymerization

      Ya-Ping Zhu, Guo-Qiang Chen and Zheng-Hong Luo

      Article first published online: 20 MAR 2014 | DOI: 10.1002/mren.201300196

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      A multi-scale CFD has been developed to describe the particle behavior in a polymerization FBR. The multi-scale model is tested by comparing simulation results with experimental data. The simulations demonstrate that both the intraparticle mass and heat transfer significantly impact the particle behavior.

  2. Special Article Series - Reviews

    1. Catalytic Olefin Polymerization Process Modeling: Multi-Scale Approach and Modeling Guidelines for Micro-Scale/Kinetic Modeling

      Vasileios Touloupidis

      Article first published online: 24 FEB 2014 | DOI: 10.1002/mren.201300188

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      This work presents the basic framework for catalytic olefin polymerization kinetic modeling. It provides an insight for a better understanding of the kinetic models, offering the starter-kit tools for developing similar approaches in the complex but extremely interesting area of polymerization kinetic reaction engineering.

  3. Special Article Series–Full Papers

    1. Monitoring Polymerization Kinetics in Microreactors by Confocal Raman Microscopy

      Arvind Kumar Yadav, Manfred Krell, Wolf-Dieter Hergeth, José Carlos de la Cal and María Jesús Barandiaran

      Article first published online: 13 FEB 2014 | DOI: 10.1002/mren.201300193

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      Use of confocal Raman microscopy to monitor kinetics of homogeneous and heterogeneous polymerizations in microreactors is being reported. The adequacy of the technique is demonstrated through several experiments performed at different residence time for solution and miniemulsion polymerizations. The method also allows getting the conversion evolution along the microreactor length by changing the position of the Raman microscope.

  4. Full Papers

    1. Modeling of the Production of Hydrogels from Hydroxyethyl Methacrylate and (Di)Ethylene Glycol Dimethacrylate in the Presence of RAFT Agents

      Lizeth Espinosa-Pérez, Julio César Hernández-Ortiz, Porfirio López-Domínguez, Gabriel Jaramillo-Soto, Eduardo Vivaldo-Lima, Patricia Pérez-Salinas, Alberto Rosas-Aburto, Angel Licea-Claverie, Humberto Vázquez-Torres and Maria Josefa Bernad-Bernad

      Article first published online: 13 FEB 2014 | DOI: 10.1002/mren.201300191

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      The growth of hydrogels from HEMA and EGDMA (or DEGDMA) with controlled structures is studied with the aid of a comprehensive mathematical model previously developed by us. Bulk and solution copolymerizations are addressed and the bulk situation is used to approximate the behavior of a RAFT dispersion copolymerization of HEMA/EGDMA in scCO2.

  5. Special Article Series - Full Papers

    1. Filtrodynamics 2: Effects of Particle Size and Filter Type on Trans-Filter Time-Dependent Pressure Signals

      Marie Dufrechou, Emmanuel Mignard, Michael F. Drenski and Wayne F. Reed

      Article first published online: 22 JAN 2014 | DOI: 10.1002/mren.201300185

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      The filtrodynamic behavior of trans-filter time-dependent pressure signals is determined for membrane and frit filters using latex spheres of varying diameter D. An accretion model based on Darcy's law best describes the mechanism of membrane filters. Non-membrane metallic frits reveal a different mechanism and behavior of filtration that is better described by the “characteristic loading” model.

  6. Full Papers

    1. Reversible Addition–Fragmentation Chain Transfer Polymerization of Vinyl Acetate in Bulk and Suspension Systems

      Marco Oliveira, Bernardo S. Barbosa, Márcio Nele and José Carlos Pinto

      Article first published online: 20 JAN 2014 | DOI: 10.1002/mren.201300175

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      Poly(vinyl acetate) is synthesized via bulk and suspension RAFT polymerizations using a dithiocarbamate compound as chain transfer agent (CTA). It is shown that the control over the molecular properties is highly sensitive to the monomer/CTA ratio. The proposed approach enables the production of poly(vinyl acetate) particles and allows for posterior chain extension, also facilitating the synthesis of microparticles with complex molecular architectures.

    2. Preparation of PMMA-b-PSt Block Copolymer via Seeded Emulsion Polymerization in the Presence of 1,1-Diphenylethylene

      Minjian Zhao, Yan Shi, Zhifeng Fu and Wantai Yang

      Article first published online: 17 JAN 2014 | DOI: 10.1002/mren.201300174

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      The behavior of methyl methacrylate in emulsion polymerization in the presence of 1,1-diphenylethylene is investigated by the analysis of instantaneous number MWD. The block copolymer PMMA-b-PSt is successfully prepared by simply heating the PMMA seed emulsion controlled by DPE in the presence of second monomer St.

    3. Assessment of Mass-Transfer Effects during Polyether Production from 1,3-Propanediol

      Wei J. Cui, Kimberley B. McAuley, Rupert E. Spence and Tuyu Xie

      Article first published online: 19 DEC 2013 | DOI: 10.1002/mren.201300172

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      A mathematical model is developed to simulate condensation polymerization of 1,3-propanediol. The model includes improved mass-transfer expressions that account for nonzero concentrations of water and monomer inside bubbles and for changing the overall bubble surface area. Improvements in the predicted unreacted monomer, water concentrations, and evaporation of the monomer and water can be observed in comparison to the previous model.

    4. Robust Calorimetric Estimation of Semi-Continuous and Batch Emulsion Polymerization Systems with Covariance Estimation

      Franklin D. Rincón, Marcelo Esposito, Pedro Henrique Hermes de Araújo, Fernando V. Lima and Galo A. C. Le Roux

      Article first published online: 16 DEC 2013 | DOI: 10.1002/mren.201300151

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      Moving horizon estimation is an optimization-based filter that can address non-linear and constrained systems. A monitoring procedure with statistical parameters estimated by the autocovariance least-squares technique is proposed and validated with experimental emulsion polymerization reaction data. The estimation results are compared with gravimetric analysis and the effect of the initial estimate is also evaluated, showing that the procedure is robust.

    5. Frontal Reaction of Epoxy Oligomers in Tubular Flux Reactors

      Anahit O. Tonoyan, Sevan P. Davtyan and Stefan C. Müller

      Article first published online: 27 NOV 2013 | DOI: 10.1002/mren.201300170

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      This work reports on the observation of reaction fronts of polymers in tubular reactors and its successful numerical description. It is shown that frontal reaction of epoxy oligomers occurs by aromatic amines and that simulations in one- and two-dimensional setups agree well with the experiments. Furthermore, nonlinear dynamical regimes such as oscillations of front velocity and geometric changes of the front shape are detected.

    6. Effect of the Polymerization Technique and Reactor Type on the Poly(n-butyl acrylate) Microstructure

      Arvind Kumar Yadav, María Jesús Barandiaran and José Carlos de la Cal

      Article first published online: 22 NOV 2013 | DOI: 10.1002/mren.201300159

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      Strategies to obtain poly(n-butyl acrylate) latexes with different microstructures are explored. By selecting the proper polymerization technique (emulsion vs. miniemulsion) as well as the reactor type (batch vs. continuous tubular reactor) at the right operation conditions, a broad range of poly(n-butyl acrylate) architectures can be achieved.

  7. Special Article Series - Full Papers

    1. Condensed Mode Cooling for Ethylene Polymerization: The Influence of the Heat of Sorption

      Arash Alizadeh and Timothy F. L. McKenna

      Article first published online: 18 NOV 2013 | DOI: 10.1002/mren.201300165

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      The relative importance of the higher solubility of n-hexane and its associated heat of sorption on the thermal behavior of the polymer particles during gas phase ethylene polymerization is investigated. It is found that if a polymerizing particle begins to heat-up, the partial desorption of a condensable solute in a gaseous state helps to attenuate the temperature rise in the polymer particles, decreasing the risk of local hot spots.

    2. Polyolefin Surface Modification During Injection Molding Using Radical Reactions in Liquid Phase

      Rene Brunotte, Jürgen Nagel, Günter Mennig, Gert Heinrich and Michael Gehde

      Article first published online: 14 OCT 2013 | DOI: 10.1002/mren.201300157

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      The surface of polyolefin parts is modified during injection molding using reactive polymer mixtures and radical reactions. Best results are obtained with liquid modifiers. The paper identifies the special conditions on using liquids for reactions during injection molding.

  8. Full Papers

    1. Surfactant-Free Miniemulsion Polymerization of a Bio-Based Oleic Acid Derivative Monomer

      Mónica Moreno, Monika Goikoetxea and María Jesús Barandiaran

      Article first published online: 8 OCT 2013 | DOI: 10.1002/mren.201300162

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      Miniemulsification of a bio-based monomer by in situ surfactant technique and further polymerization is being reported. The non-reacted oleic acid present in the production of the fatty acid derivative monomer is successfully used as precursor to generate the surfactant. Surfactant-free bio-based latexes forming transparent and glossy films are achieved.


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