Computer simulation of reptation theories. I. Doi–Edwards and Curtiss–Bird models

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Abstract
An algorithm for simulating the Doi–Edwards and Curtiss–Bird models for concentrated polymer solutions and melts in homogeneous flow situations is developed. For steady shear flow, it is demonstrated that this simulation algorithm is capable of supplying high-precision results for the viscometric functions. The proposed simulation algorithm is not only useful for studying arbitrary time-dependent flows and various generalizations of the original Doi–Edwards and Curtiss–Bird models, but it also further illuminates the mathematical and physical content of the basic equation describing the polymer dynamics in these reptation theories.

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