Mixing of Isotactic and Syndiotactic Polypropylenes in the Melt

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The miscibility of polypropylene (PP) melts in which the chains differ only in stereochemical composition has been investigated by two different procedures. One approach used detailed local information from a Monte Carlo simulation of a single chain, and the other approach takes this information from a rotational isomeric state model devised decades ago, for another purpose. The first approach uses PRISM theory to deduce the intermolecular packing in the polymer blend, while the second approach uses a Monte Carlo simulation of a coarse-grained representation of independent chains, expressed on a high-coordination lattice. Both approaches find a positive energy change upon ... continued below

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Medium: P; Size: 56 pages

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CLANCY,THOMAS C.; PUTZ,MATHIAS; WEINHOLD,JEFFREY D.; CURRO,JOHN G. & MATTICE,WAYNE L. July 14, 2000.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM, and Livermore, CA (United States)
    Place of Publication: Albuquerque, New Mexico

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Description

The miscibility of polypropylene (PP) melts in which the chains differ only in stereochemical composition has been investigated by two different procedures. One approach used detailed local information from a Monte Carlo simulation of a single chain, and the other approach takes this information from a rotational isomeric state model devised decades ago, for another purpose. The first approach uses PRISM theory to deduce the intermolecular packing in the polymer blend, while the second approach uses a Monte Carlo simulation of a coarse-grained representation of independent chains, expressed on a high-coordination lattice. Both approaches find a positive energy change upon mixing isotactic PP (iPP) and syndiotactic polypropylene (sPP) chains in the melt. This conclusion is qualitatively consistent with observations published recently by Muelhaupt and coworkers. The size of the energy chain on mixing is smaller in the MC/PRISM approach than in the RIS/MC simulation, with the smaller energy change being in better agreement with the experiment. The RIS/MC simulation finds no demixing for iPP and atactic polypropylene (aPP) in the melt, consistent with several experimental observations in the literature. The demixing of the iPP/sPP blend may arise from attractive interactions in the sPP melt that are disrupted when the sPP chains are diluted with aPP or iPP chains.

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Medium: P; Size: 56 pages

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OSTI as DE00759949

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  • Journal Name: Macromolecules; Other Information: Submitted to Macromolecules

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  • Report No.: SAND2000-1657J
  • Grant Number: AC04-94AL85000
  • Office of Scientific & Technical Information Report Number: 759949
  • Archival Resource Key: ark:/67531/metadc709809

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  • July 14, 2000

Added to The UNT Digital Library

  • Sept. 12, 2015, 6:31 a.m.

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  • April 12, 2016, 4:50 p.m.

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CLANCY,THOMAS C.; PUTZ,MATHIAS; WEINHOLD,JEFFREY D.; CURRO,JOHN G. & MATTICE,WAYNE L. Mixing of Isotactic and Syndiotactic Polypropylenes in the Melt, article, July 14, 2000; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc709809/: accessed June 22, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.