Validation and Refinement of Unified Analytic Model for Flexible and Semiflexible Polymer Melt Entanglement

2022/04/20 by Joseph D. Dietz, Martin Kröger, Robert S. Hoy · 3 citations
Chemical Engineering · Materials Science · #Rheology and Fluid Dynamics Studies #Polymer crystallization and properties #Polymer Foaming and Composites

paper · doi:10.1021/acs.macromol.1c02597

Abstract

-estimation alters their numerical coefficients. Our revised expressions quantitatively match bead-spring simulation data over the entire range of chain stiffnesses for which systems remain isotropic, semiquantitatively match all available experimental data for flexible, semiflexible, and stiff polymer melts (including new data for conjugated polymers that lie in a previously unpopulated stiffness regime), and outperform previously developed unified scaling theories.

Citations

• Fast Parallel Algorithms for Short-Range Molecular Dynamics
• Kremer–Grest Models for Commodity Polymer Melts: Linking Theory, Experiment, and Simulation at the Kuhn Scale
• Characteristic Time and Length Scales in Melts of Kremer–Grest Bead–Spring Polymers with Wormlike Bending Stiffness

Cited by

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• Elucidation of the Correlation between Molecular Conformation and Shear Viscosity of Polymer Melts under Steady-State Shear Flow

Related

• Characteristic Time and Length Scales in Melts of Kremer–Grest Bead–Spring Polymers with Wormlike Bending Stiffness
• Kremer-Grest models for universal properties of specific common polymer species
• Kremer–Grest Models for Commodity Polymer Melts: Linking Theory, Experiment, and Simulation at the Kuhn Scale
• Effect of Dispersity on Dynamic Properties of Polymer Melts: Insights from Coarse-Grained Molecular Dynamics Simulations
• Persistence length and plateau modulus of semiflexible entangled polymers in primitive chain network simulations