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Predicting chain conformation and entanglement of polymers from chemical structure
Author(s) -
Wu Souheng
Publication year - 1992
Publication title -
polymer engineering and science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.503
H-Index - 111
eISSN - 1548-2634
pISSN - 0032-3888
DOI - 10.1002/pen.760321209
Subject(s) - quantum entanglement , materials science , polymer , viscoelasticity , brittleness , thermodynamics , chemical structure , chain (unit) , adhesion , polymer science , composite material , organic chemistry , physics , chemistry , quantum mechanics , quantum
The characteristic ratio C ∞ and the entanglement molecular weight M e are two key molecular parameters that control melt viscoelasticity, solid mechanical (brittle/ductile) behavior, and adhesion of polymers. We show that the characteristic ratio C ∞ and the entanglement molecular weight M e can be predicted from chemical structure by group additivity with uncertainties usually less than ∼ 7% for C ∞ and ∼ 15% for M e , comparable with the accuracies of experimental values.