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arxiv: 1111.4895 · v1 · pith:L2WC52TVnew · submitted 2011-11-21 · ❄️ cond-mat.soft

Topological versus rheological entanglement length in primitive path analysis protocols

classification ❄️ cond-mat.soft
keywords entanglementlengthanalysisprimitivedifferentemployedentangledpath
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Primitive path analysis algorithms are now routinely employed to analyze entanglements in computer simulations of polymeric systems, but different analysis protocols result in different estimates of the entanglement length, N_e. Here we argue that standard PPA measures the rheological entanglement length, typically employed by tube models and relevant to quantitative comparisons with experiment, while codes like Z or CReTA also determine the topological entanglement length. For loosely entangled systems, a simple analogy between between phantom networks and the mesh of entangled primitive paths suggests a factor of two between the two numbers. This result is in excellent agreement with reported values for poly-ethylene, poly-butadiene and bead-spring polymer melts.

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