Royal Society Publishing

Molecular modelling of entanglement

Masao Doi, Jun-ichi Takimoto

Abstract

The modelling of molecular entanglement in polymeric materials is an old problem, and has evolved gradually over the last 60 years, with two key approaches: the network model of Green & Tobolsky, and the tube model of Edwards and de Gennes. We will show that these models can be merged together in a straightforward manner. The resulting model, called the dual slip–link model, can be handled by computer simulation, and it can predict the linear and nonlinear rheological behaviours of linear and star polymers with arbitrary molecular weight distribution.

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