Expansion joints simulated

Close examination of the radii of ration from the molecular dynamirs simulations reveals that the chains are not completely ideal Overall the chains exhibit nearly ideal scaling behavior for whidi R oc Locally, however, the chains are found to be expanded relative to a freely jointed chain of the same length. This local expansion is a result of local intramolecular excluded volume which has not been completdy screened out in the melt. Thus in order to predict accurately the intermolecular structure one needs to correct for local deviations from Flory s ideality hypothesis. We were able to make this correction by employing the ra(k) directly computed from the molecular dynamics simulation. When the PRISM theory is then used to calculate g(r) from the actual, simulated d>(kX excellent agreement is seen in Fig. 3 between the theory and the simulation... 

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