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Macromol. Theory Simul. 4/2016
Author(s) -
Touloupidis Vasileios,
Wurnitsch Christof,
Albunia Alexandra,
Galgali Girish
Publication year - 2016
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201670010
Subject(s) - reptation , flow (mathematics) , range (aeronautics) , viscoelasticity , materials science , melt flow index , work (physics) , polymer , computer science , mechanics , biological system , statistical physics , thermodynamics , physics , composite material , biology , copolymer
Front Cover : In this work, a modeling pathway and software tool for linking entangled linear polymer molecular properties to linear viscoelasticity and melt index (MI) values is presented. A reptation model links molecular properties to the flow curve, and then, an ANSYS Polyflow model calculates MI values based on the flow curve predicted. The method is thoroughly tested and validated for uni‐and bi‐modal, low‐ and high‐density polyethylene grades. An overall accuracy level in the range of 90% on average is exhibited, considering both model prediction steps: (i) MWD to flow curve and (ii) flow curve to MI. These promising results offer a valuable tool to enhance product development toward the direction of end‐use polymer bulk properties prediction. Further details can be found in the article by Vasileios Touloupidis,* Christof Wurnitsch, Alexandra Albunia and Girish Galgali on page 392.