The Fraenkel Chain Model

In this chapter, the simulation scheme will be introduced and illustrated by applying it to the Rouse chain. The computer simulation results of the Rouse-chain model can be directly compared with the analytical solutions to demonstrate the validity of the simulations. This will serve to validate simulations by the same scheme on systems of which analytical solutions are not available. In Chapters 17 and 18, simulations on entanglement-free Fraenkel chains " are studied giving new understandings at the molecular level of polymer viscoelasticity. 

This model was first suggested by Fraenkel and recently investigated by Fatkullin et al In the limit of high bond stiffness k —> oo this model becomes the freely jointed chain model. We note that unlike the Rouse model, this model is nonlinear, and the different Cartesian components are coupled. We will investigate the consequences of these complications in Section 1.06.3.3.2. In this chapter, we will use bond stiffness fe= 100. 

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