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

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  • Ilg, Patrick

Abstract

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.

Suggested Citation

  • Ilg, Patrick, 2008. "Macroscopic thermodynamics of flowing polymers derived from systematic coarse-graining procedure," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 387(26), pages 6484-6496.
    • Handle: RePEc:eee:phsmap:v:387:y:2008:i:26:p:6484-6496
    DOI: 10.1016/j.physa.2008.08.032
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    References listed on IDEAS

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    1. Taniguchi, Tooru, 1997. "Thermodynamical properties in nonequilibrium statistical mechanics," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 236(3), pages 448-484.
    2. Ilg, Patrick & Karlin, Iliya V. & Kröger, Martin & Öttinger, Hans Christian, 2003. "Canonical distribution functions in polymer dynamics. (II). Liquid-crystalline polymers," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 319(C), pages 134-150.
    3. Dukek, G. & Karlin, Iliya V. & Nonnenmacher, T.F., 1997. "Dissipative brackets as a tool for kinetic modeling," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 239(4), pages 493-508.
    4. Louis, A.A. & Bolhuis, P.G. & Finken, R. & Krakoviack, V. & Meijer, E.J. & Hansen, J.P., 2002. "Coarse-graining polymers as soft colloids," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 306(C), pages 251-261.
    5. Rubı́, J.M. & Pérez-Madrid, A., 2001. "Mesoscopic non-equilibrium thermodynamics approach to the dynamics of polymers," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 298(1), pages 177-186.
    6. Ilg, Patrick & Karlin, Iliya V. & Öttinger, Hans Christian, 2002. "Canonical distribution functions in polymer dynamics. (I). Dilute solutions of flexible polymers," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 315(3), pages 367-385.
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