Topological versus rheological entanglement length in primitive path analysis protocols
arXiv:1111.4895 · doi:10.1103/PhysRevE.86.022801
Abstract
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.
3 pages, no figures
References in corpus (1)
Cited by in corpus (23)
- Kremer-Grest models for commodity polymer melts: Linking theory, experiment and simulation at the Kuhn scale
- Ring polymers in the melt state: the physics of crumpling
- Static and dynamic properties of large polymer melts in equilibrium
- Tensile Fracture of Welded Polymer Interfaces: Miscibility, Entanglements and Crazing
- Healing of polymer interfaces: Interfacial dynamics, entanglements, and strength
- Characteristic time and length scales in melts of Kremer-Grest bead-spring polymers with wormlike bending stiffness
- Microscopic Description of Entanglements in Polyethylene Networks and Melts: Strong, Weak, Pairwise, and Collective Attributes
- Topological Methods for Polymeric Materials: Characterizing the Relationship Between Polymer Entanglement and Viscoelasticity
- Computational study of the cross-link and the entanglement contributions to the elastic properties of model PDMS networks
- Unified analytic expressions for the entanglement length, tube diameter, and plateau modulus of polymer melts
- Monomer Fluctuations and the Distribution of Residual Bond Orientations in Polymer Networks
- Multiscale approach to equilibrating model polymer melts
- Clustering of entanglement points in highly strained polymer melts
- Local loop opening in untangled ring polymer melts: A detailed "Feynman test" of models for the large scale structure
- Chain retraction in highly entangled stretched polymer melts
- Plateau Moduli of Several Single-Chain Slip-Link and Slip-Spring Models
- A Force-Level Theory of the Rheology of Entangled Rod and Chain Polymer Liquids. I. Tube Deformation, Microscopic Yielding and the Nonlinear Elastic Limit
- Segment-Scale, Force-Level Theory of Mesoscopic Dynamic Localization and Entropic Elasticity in Entangled Chain Polymer Liquids
- Topological analysis and the recovery of entanglements in polymer melts
- Arm retraction dynamics in dense polymer brushes
- Multiscale equilibration of highly entangled isotropic model polymer melts
- Cooperative polymer dynamics at the crossover between the unentangled and the entangled regimes: theoretical predictions of scattering and linear shear relaxation for polyethylene melts
- Dissipative particle dynamics simulation plus slip-springs for entangled polymers with various slip-spring densities