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Methods Of Generating Dense Relaxed Amorphous Polymer Samples For Use In Dynamic Simulations

J. McKechnie, D. Brown, J. Clarke
Published 1992 · Chemistry

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A comparison is made between different methods of generating relaxed dense amorphous systems of model linear polymer chains. One of them, referred to as phantom chain growth (PCG), has many advantages when compared with self-avoiding random walk procedures. In PCG chains are grown under non-excluded volume conditions such that successive torsion angles in a chain occur with a probability which is related to immediately adjacent torsion angles only. A series of experiments on a polyethylene-like designed to test the effect of preparational history and heat treatment on the relaxation of the amorphous samples is reported



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