Abstract
An overview of the mixture theory is provided while building upon similarities with the classical single continuum theory. The mixture theory can be formulated on different levels of description, in terms of different state variables. The second law of thermodynamics is used as a fundamental constraint for obtaining the constitutive relations, the closures. For this purpose, one can either use a definition of entropy (Gibbs’ relation) or a definition of temperature, which is used to identify the entropy production. We discuss the significance and role of coupling in a model formulation and illustrate it using examples stemming from biology.
The theory is applied to the formulation of a biphasic model of cartilage. The superiority of mixture theory over the single continuum framework is evident, but there is a trade-off in terms of more parameters that need to be estimated and the number of boundary conditions. In the latter, the difficulties are inherent to the theory and remain an open problem. They are not derivable and require further modelling, although there are situations where boundary conditions can be assessed. Upscaling methods might provide answers in certain situations as well as a new idea within GENERIC framework.
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References
Abarbanel, H.D., Brown, R., Yang, Y.M.: Hamiltonian formulation of inviscid flows with free boundaries. The Physics of Fluids 31(10), 2802–2809 (1988)
Ateshian, G.A.: On the theory of reactive mixtures for modeling biological growth. Biomechanics and Modeling in Mechanobiology 6(6), 423–445 (2007)
Beavers, G.S., Joseph, D.D.: Boundary conditions at a naturally permeable wall. Journal of Fluid Mechanics 30(1), 197–207 (1967)
Bedeaux, D., Albano, A., Mazur, P.: Boundary conditions and non-equilibrium thermodynamics. Physica A: Statistical Mechanics and its Applications 82(3), 438–462 (1976)
Bedford, A., Drumheller, D.S.: Theories of immiscible and structured mixtures. International Journal of Engineering Science 21(8), 863–960 (1983)
Bowen, R.M.: Theory of mixtures. In: A. Eringen (ed.) Continuum Physics, vol. 3. Academic Press, New York (1976)
Bulíček, M., Málek, J., Průša, V.: Thermodynamics and stability of non-equilibrium steady states in open systems. Entropy 21(7), 704 (2019)
Callen, H.B.: Thermodynamics and an Introduction to Thermostatistics. John Wiley & Sons (1985)
Casimir, H.B.G.: On Onsager’s principle of microscopic reversibility. Rev. Mod. Phys. 17, 343–350 (1945). https://doi.org/10.1103/RevModPhys.17.343
Chadwick, P.: Continuum mechanics: concise theory and problems. Courier Corporation (2012)
Chen, I.C., Kuksenok, O., Yashin, V.V., Balazs, A.C., Van Vliet, K.J.: Mechanical resuscitation of chemical oscillations in Belousov–Zhabotinsky gels. Advanced Functional Materials 22(12), 2535–2541 (2012)
De Groot, S.R., Mazur, P.: Non-equilibrium thermodynamics. Courier Corporation (2013)
Drew, D.A., Passman, S.L.: Theory of multicomponent fluids, vol. 135. Springer Science & Business Media (2006)
Drumheller, D.: On theories for reacting immiscible mixtures. International Journal of Engineering Science 38(3), 347–382 (2000)
Godunov, S.K., Romenskii, E.: Elements of continuum mechanics and conservation laws. Springer Science & Business Media (2003)
Gray, W.G., Miller, C.T.: Introduction to the thermodynamically constrained averaging theory for porous medium systems. Springer (2014)
Green, A.E., Naghdi, P.: A unified procedure for construction of theories of deformable media. iii. Mixtures of interacting continua. Proceedings of the Royal Society of London. Series A: Mathematical and Physical Sciences 448(1934), 379–388 (1995)
Grmela, M., Klika, V., Pavelka, M.: Reductions and extensions in mesoscopic dynamics. Physical Review E 92(3), 032111 (2015)
Grmela, M., Öttinger, H.C.: Dynamics and thermodynamics of complex fluids. I. Development of a general formalism. Physical Review E 56(6), 6620 (1997)
Gurtin, M.E., Fried, E., Anand, L.: The mechanics and thermodynamics of continua. Cambridge University Press (2010)
Hou, J., Holmes, M., Lai, W., Mow, V.: Boundary conditions at the cartilage-synovial fluid interface for joint lubrication and theoretical verifications. Journal of Biomechanical Engineering 111(1), 78–87 (1989)
Izadifar, Z., Chen, X., Kulyk, W.: Strategic design and fabrication of engineered scaffolds for articular cartilage repair. Journal of Functional Biomaterials 3(4), 799–838 (2012)
Jou, D., Casas-Vázquez, J., Lebon, G.: Extended irreversible thermodynamics. Springer (1996)
Klika, V.: Comparison of the effects of possible mechanical stimuli on the rate of biochemical reactions. The Journal of Physical Chemistry B 114(32), 10567–10572 (2010)
Klika, V.: A guide through available mixture theories for applications. Critical reviews in solid state and materials sciences 39(2), 154–174 (2014)
Klika, V., Gaffney, E.A., Chen, Y.C., Brown, C.P.: An overview of multiphase cartilage mechanical modelling and its role in understanding function and pathology. Journal of the Mechanical Behavior of Biomedical Materials 62, 139–157 (2016)
Klika, V., Grmela, M.: Coupling between chemical kinetics and mechanics that is both nonlinear and compatible with thermodynamics. Physical Review E 87(1), 012141 (2013)
Klika, V., Grmela, M.: Mechano-chemical coupling in Belousov-Zhabotinskii reactions. The Journal of Chemical Physics 140(12), 124110 (2014)
Klika, V., Krause, A.L.: Beyond Onsager–Casimir relations: shared dependence of phenomenological coefficients on state variables. The Journal of Physical Chemistry Letters 9(24), 7021–7025 (2018)
Klika, V., Kubant, J., Pavelka, M., Benziger, J.B.: Non-equilibrium thermodynamic model of water sorption in Nafion membranes. Journal of Membrane Science 540, 35–49 (2017)
Klika, V., Maršík, F.: Coupling effect between mechanical loading and chemical reactions. The Journal of Physical Chemistry B 113(44), 14689–14697 (2009)
Klika, V., Pavelka, M., Benziger, J.B.: Functional constraints on phenomenological coefficients. Physical Review E 95(2), 022125 (2017)
Klika, V., Pavelka, M., Vágner, P., Grmela, M.: Dynamic maximum entropy reduction. Entropy 21(7), 715 (2019)
Klika, V., Pérez, M.A., García-Aznar, J.M., Maršík, F., Doblaré, M.: A coupled mechano-biochemical model for bone adaptation. Journal of Mathematical Biology 69(6–7), 1383–1429 (2014)
Klika, V., Votinská, B.: Towards systematic approach to boundary conditions in multiphasic and mixture models: Maximum entropy principle estimate. International Journal of Engineering Science (2021). Submitted
Klika, V., Whiteley, J.P., Brown, C.P., Gaffney, E.A.: The combined impact of tissue heterogeneity and fixed charge for models of cartilage: the one-dimensional biphasic swelling model revisited. Biomechanics and Modeling in Mechanobiology 18(4), 953–968 (2019)
Krause, A.L., Klika, V., Woolley, T.E., Gaffney, E.A.: From one pattern into another: analysis of Turing patterns in heterogeneous domains via WKBJ. Journal of the Royal Society Interface 17(162), 20190621 (2020)
Krishna, R., Wesselingh, J.: The Maxwell-Stefan approach to mass transfer. Chemical Engineering Science 52(6), 861–911 (1997)
Lai, W., Hou, J., Mow, V.: A triphasic theory for the swelling and deformation behaviors of articular cartilage. Journal of Biomechanical Engineering 113(3), 245–258 (1991)
Lebon, G., Jou, D., Casas-Vázquez, J.: Understanding non-equilibrium thermodynamics, vol. 295. Springer (2008)
Málek, J., Souček, O.: Theory of mixtures. Lecture notes (2019). http://geo.mff.cuni.cz/~soucek/vyuka/materials/theory-of-mixtures/theory_of_mixtures-lecture-notes.pdf. Accessed on 23 Oct,2020
Massoudi, M.: On the importance of material frame-indifference and lift forces in multiphase flows. Chemical Engineering Science 57(17), 3687–3701 (2002)
Mow, V.C., Kuei, S., Lai, W.M., Armstrong, C.G.: Biphasic creep and stress relaxation of articular cartilage in compression: theory and experiments. Journal of Biomechanical Engineering 102(1), 73–84 (1980)
Müller, I., Ruggeri, T.: Rational extended thermodynamics, vol. 37. Springer Science & Business Media (2013)
Murdoch, A.: On material frame-indifference, intrinsic spin, and certain constitutive relations motivated by the kinetic theory of gases. Arch. Ration. Mech. Anal 83(2), 183 (1983)
Murray, J.D.: Mathematical biology: I. An introduction, vol. 17. Springer Science & Business Media (2007)
Onsager, L.: Reciprocal relations in irreversible processes. I. Phys. Rev. 37, 405–426 (1931). https://doi.org/10.1103/PhysRev.38.2265
Onsager, L.: Reciprocal relations in irreversible processes. II. Phys. Rev. 38, 2265–2279 (1931). https://doi.org/10.1103/PhysRev.38.2265
Öttinger, H.C., Grmela, M.: Dynamics and thermodynamics of complex fluids. II. Illustrations of a general formalism. Physical Review E 56(6), 6633 (1997)
Pavelka, M., Klika, V., Esen, O., Grmela, M.: A hierarchy of Poisson brackets in non-equilibrium thermodynamics. Physica D: Nonlinear Phenomena 335, 54–69 (2016)
Pavelka, M., Klika, V., Grmela, M.: Time reversal in nonequilibrium thermodynamics. Physical Review E 90(6), 062131 (2014)
Pavelka, M., Klika, V., Grmela, M.: Multiscale thermo-dynamics: introduction to GENERIC. Walter de Gruyter GmbH & Co KG (2018)
Pavelka, M., Maršík, F., Klika, V.: Consistent theory of mixtures on different levels of description. International Journal of Engineering Science 78, 192–217 (2014)
Pavelka, M., Peshkov, I., Klika, V.: On Hamiltonian continuum mechanics. Physica D: Nonlinear Phenomena 408, 132510 (2020)
Pavelka, M., Peshkov, I., Sỳkora, M.: A note on construction of continuum mechanics and thermodynamics. In: Continuum Mechanics, Applied Mathematics and Scientific Computing: Godunov’s Legacy, pp. 283–289. Springer (2020)
Peshkov, I., Romenski, E.: A hyperbolic model for viscous Newtonian flows. Continuum Mechanics and Thermodynamics 28(1–2), 85–104 (2016)
Rajagopal, K.: On boundary conditions for fluids of the differential type. In: Navier Stokes Equations and Related Nonlinear Problems, pp. 273–278. Springer (1995)
Saffman, P.G.: On the boundary condition at the surface of a porous medium. Studies in Applied Mathematics 50(2), 93–101 (1971)
Souček, O., Heida, M., Málek, J.: On a thermodynamic framework for develo** boundary conditions for Korteweg-type fluids. International Journal of Engineering Science 154, 103316 (2020)
Souček, O., Orava, V., Málek, J., Bothe, D.: A continuum model of heterogeneous catalysis: Thermodynamic framework for multicomponent bulk and surface phenomena coupled by sorption. International Journal of Engineering Science 138, 82–117 (2019)
Souček, O., Průša, V., Málek, J., Rajagopal, K.: On the natural structure of thermodynamic potentials and fluxes in the theory of chemically non-reacting binary mixtures. Acta Mechanica 225(11), 3157–3186 (2014)
Waldmann, L.: Reciprocity and boundary conditions for transport-relaxation equations. Zeitschrift für Naturforschung A 31(12), 1439–1450 (1976)
Whiteley, J.P., Gaffney, E.A.: Modelling the inclusion of swelling pressure in a tissue level poroviscoelastic model of cartilage deformation. Mathematical Medicine and Biology: A Journal of the IMA (2020)
Acknowledgements
Václav Klika is grateful for support from the Czech Grant Agency, project number 20-22092S.
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Klika, V. (2021). Modelling of Biomaterials as an Application of the Theory of Mixtures. In: Málek, J., Süli, E. (eds) Modeling Biomaterials. Nečas Center Series. Birkhäuser, Cham. https://doi.org/10.1007/978-3-030-88084-2_4
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