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- W1567706691 abstract "The temperature dependence of the chain configurations of amorphous polypropylenes is investigated by means of molecular dynamics (MD) simulations. The temperature gradient of the specific volume can be used to estimate the glass temperature of the amorphous polypropylene chain system. The dihedral distribution of the overall bonds of the amorphous polypropylene chain system at the various temperatures maintains the rotational isomeric state (RIS) scheme. The occurrence frequency of the isomeric state also can be used to locate the glass temperature. The average occurrence frequency of the trans or gauche states is almost unchanged below the glass temperature and the trans fraction decreases with increasing temperature above the glass temperature. The RIS calculations developed for an isolated chain conflicts with configurational parameters in amorphous bulk or melt state, although it is successful to explain the observation for the dilute and θ ‐solution. The average molecular dimension of polypropylenes obtained by MD simulation is almost independence of temperature in amorphous bulk and melt, which is in agreement with the experimental observation." @default.
- W1567706691 created "2016-06-24" @default.
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- W1567706691 date "2013-11-14" @default.
- W1567706691 modified "2023-10-05" @default.
- W1567706691 title "Temperature Dependence of Polypropylene Configurations" @default.
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- W1567706691 doi "https://doi.org/10.1002/mats.201300126" @default.
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