Herzogenrath.de

Kröger, Detlef; Hanken, Claas

doi:10.1007/978-3-642-19011-7_9

Cited by 1 publication

(1 citation statement)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…III) and also the modified S-coil (7) suggest that the "best" estimate of the entanglement length for flexible chains is well above the previously reported value. This is significant e. g, for quantifying the ratio N e /N c , where N c is the rheological crossover chain length where zero shear viscosity changes its scaling behavior from Rouse to reptation, and has been estimated as N c ≈ 100 [3,45].…”

Section: Numerical Results and Discussionmentioning

confidence: 99%

Topological analysis of polymeric melts: Chain-length effects and fast-converging estimators for entanglement length

2009

View full text Add to dashboard Cite

Primitive path analyses of entanglements are performed over a wide range of chain lengths for both bead spring and atomistic polyethylene polymer melts. Estimators for the entanglement length N_{e} which operate on results for a single chain length N are shown to produce systematic O(1/N) errors. The mathematical roots of these errors are identified as (a) treating chain ends as entanglements and (b) neglecting non-Gaussian corrections to chain and primitive path dimensions. The prefactors for the O(1/N) errors may be large; in general their magnitude depends both on the polymer model and the method used to obtain primitive paths. We propose, derive, and test new estimators which eliminate these systematic errors using information obtainable from the variation in entanglement characteristics with chain length. The new estimators produce accurate results for N_{e} from marginally entangled systems. Formulas based on direct enumeration of entanglements appear to converge faster and are simpler to apply.

show abstract

Section: Numerical Results and Discussionmentioning

confidence: 99%