Macroscopic thermodynamics of flowing polymers derived from systematic coarse-graining procedure

摘要

Macroscopic thermodynamics of flowing polymeric liquids in terms of a single conformation tensor is derived from atomistic or mechanical bead-spring models via a systematic coarse-graining procedure. The macroscopic equations derived here are consistent with earlier works where they have been proposed on more phenomenological grounds. The present approach provides a microscopic justification of these equations including expressions for the transport coefficients. In addition, the macroscopic equations derived here consider second-order dissipative processes that arise due to cross-correlated fluctuations on the macroscopic variables and insofar offer an extension of the previously chosen level of description. (c) 2008 Elsevier B.V. All rights reserved.