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International Journal for Multiscale Computational Engineering
IF: 1.016 5-Year IF: 1.194 SJR: 0.452 SNIP: 0.68 CiteScore™: 1.18

ISSN Print: 1543-1649
ISSN Online: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.v9.i1.40
pages 35-51

THERMODYNAMICS: A STRUCTURE EMERGING IN THESTUDY OF RELATIONS AMONG DIFFERENT SCALES

F. Chinesta
EADS Corporate International Chair, Ecole Centrale de Nantes, 1 rue de la Noe, 44321 Nantes Cedex 3, France
Miroslav Grmela
Ecole Polytechnique de Montreal, C.P. 6079 suc. Centre-ville, Montreal, H3C 3A7, Quebec, Canada

ABSTRACT

Separation of scales becomes problematic in complex fluids. Some sort of multiscale analysis is inevitable. We show that a sufficiently general formulation of thermodynamics provides a unified framework for such analysis. Among the illustrations of the framework, we develop a basis for (i) an extension of the Simha-Somcynski equilibrium theory of polymeric fluids to a rheological theory and (ii) a new approach to the formulation of governing equations of direct molecular simulations of fluids subjected to flow and temperature gradients.

REFERENCES

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  2. Beris, A. N. and Edwards, B. J., Thermodynamics of Flowing Systems.

  3. Edwards, B. J., Dressler, M., Grmela, M., and Ait-Kadi, A., Rheological models with microstructural constraints. DOI: 10.1007/s00397-002-0256-9

  4. Grmela, M., Particle and bracket formulations of kinetic equations.

  5. Grmela, M., Nonequilibrium extension of the Simha-Somcynski equilibrium theory of polymeric fluids.

  6. Grmela, M., Thermodynamical lift of the nonlinear Onsager-Casimir vector field.

  7. Grmela, M., Mesoscopic dynamics and thermodynamics: Applications in polymeric fluids. DOI: 10.1007/3-540-53996-4_37

  8. Grmela, M., Coupling between microscopic and macroscopic dynamics in NEMD. DOI: 10.1016/0375-9601(93)90542-8

  9. Grmela, M. and Ottinger, H. C., Dynamics and thermodynamics of complex fluids: General formulation. DOI: 10.1103/PhysRevE.56.6620

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  22. Sarti, G. C. and Marrucci, G., Thermomechanics of dilute polymer solutions: Multiple bead-spring model. DOI: 10.1016/0009-2509(73)80008-9

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