The concept of dynamic tube dilation (DTD) is here used to formulate a new simulation scheme to obtain the linear viscoelastic response of long chains with a large number of entanglements. The new scheme is based on the primitive chain network model previously proposed by some of the authors, and successfully employed to simulate linear and nonlinear behavior of moderately entangled polymers. Scaling laws are generated by the DTD concept, and allow for prediction of the linear response of very long chains on the basis of suitable simulations performed on shorter ones, without introducing adjustable parameters. Tests of the method against existing data for linear monodisperse polyisoprene and polystyrene show good quantitative agreement.
Highly entangled polymer primitive chain network simulations based on dynamic tube dilation
Takatoshi Yaoita, Takeharu Isaki, Yuichi Masubuchi, Hiroshi Watanabe, Giovanni Ianniruberto, Francesco Greco, Giuseppe Marrucci; Highly entangled polymer primitive chain network simulations based on dynamic tube dilation. J. Chem. Phys. 22 December 2004; 121 (24): 12650–12654. https://doi.org/10.1063/1.1819311
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