Macromolecular Reaction Engineering
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Materials Science Weekly Newsletter
Recently Published Articles
- Correlating Cobalt Net Charges with Catalytic Activities of the 2-(Benzimidazolyl)-6-(1-aryliminoethyl)pyridylcobalt Complexes toward Ethylene Polymerization
Wenhong Yang, Yan Chen and Wen-Hua Sun
Article first published online: 3 MAR 2015 | DOI: 10.1002/mren.201400064
DFT-QEq method was applied to study the catalytic activities for the series of 2-(Benzimidazolyl)-6-(1-aryliminoethyl)pyridyl cobalt complex pre-catalysts, which are analogues to iron systems reported previously. Good correlations were presented between experimental activities and calculated effective net charges. Comparisons with iron analogues indicated the variations of net charge on metal atoms are the same as a function of complex.
- Modeling of the ATRcoP Processes of Methyl Methacrylate and 2-(Trimethylsilyl) Ethyl Methacrylate in Continuous Reactors: From CSTR to PFR
Wei Wang, Yin-Ning Zhou and Zheng-Hong Luo
Article first published online: 26 FEB 2015 | DOI: 10.1002/mren.201400056
A tubular reactor model was developed to describe the ATRcoP of methyl methacrylate (MMA) and 2-(trimethylsilyl) ethyl methacrylate (HEMA-TMS) under different axial dispersions. The main ATRcoP behaviors and polymer micro-characteristics were obtained. Finally, the effects of flow patterns (including the CSTR and PFR modes) in different reactors on the ATRcoP characteristics were investigated using the model.
- Copolymerization of Limonene with n-Butyl Acrylate
Shanshan Ren, Esther Trevino and Marc A. Dubé
Article first published online: 24 FEB 2015 | DOI: 10.1002/mren.201400068
d-limonene, a renewable monoterpene derived from citrus fruit peels, is investigated to be used in polymer formulations. The copolymerization of d-limonene/n-butyl acrylate is evaluated by estimating the reactivity ratios and examining the composition drift with conversion. The incorporation of d-limonene into copolymer involves two routes: the normal propagation mechanism and a degradative chain transfer mechanism.
- D-Optimality in Model-Based Experimental Designs: Applications in NMRP of Styrene
Alison J. Scott, Mark D. Hazlett, Eduardo Vivaldo-Lima and Alexander Penlidis
Article first published online: 19 FEB 2015 | DOI: 10.1002/mren.201400060
Model-based D-optimal design of experiments is applied to the NMRP of styrene using three model levels: a fully mechanistic model, a refined mechanistic model, and a substantially reduced model. The D-optimal designs formulated using these models are compared to each other and are contrasted with additional optimality criteria (Bayesian design and anti-correlation criteria).
- Neodymium-Based Catalyst for the Coordination Polymerization of Butadiene: From Fundamental Research to Industrial Application
Han Zhu, Ping Chen, Chang-Feng Yang and Yi-Xian Wu
Article first published online: 19 FEB 2015 | DOI: 10.1002/mren.201400063
The neodymium-based catalyst system with high catalytic activity and stereoselectivity to butadiene polymerization was developed to produce polybutadiene with extremely high cis-1,4 configuration. The innovation technology has been achieved from fundamental research to industrial application.