Numerical tests of a pseudoreactive algorithm for lattice chains

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Abstract
A method for performing computer simulations of lattice chains (Ref. 1) which includes both reptational motion and the exchange of mass among chains is tested against the well‐established reptational algorithm of Wall and Mandel (Ref. 2) at a variety of densities. The new method is found to produce results of much higher precision than the pure Wall/Mandel technique for simulations of similar length. Estimates of uncertainty suggest that, for some properties at high density, equivalent precision can be achieved using the new algorithm from simulations two orders of magnitude shorter than would be required with the more conventional technique. The two algorithms produce results which agree to within 1%, the estimated uncertainty achieved using the Wall/Mandel procedure. Application to bulk polymer under confinement, shows that the new method permits the detail in the spatial dependence of the properties of chains to be resolved much more completely.

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