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Thermodynamically Constrained Averaging Theory Approach for Modeling Flow and Transport Phenomena in Porous Medium Systems: 4. Species Transport Fundamentals.

Authors:
Cass T Miller William G Gray

Adv Water Resour 2008 Mar;31(3):577-597

Department of Environmental Sciences and Engineering, University of North Carolina, Chapel Hill, North Carolina 27599-7431, USA.

This work is the fourth in a series of papers on the thermodynamically constrained averaging theory (TCAT) approach for modeling flow and transport phenomena in multiscale porous medium systems. The general TCAT framework and the mathematical foundation presented in previous works are built upon by formulating macroscale models for conservation of mass, momentum, and energy, and the balance of entropy for a species in a phase volume, interface, and common curve. In addition, classical irreversible thermodynamic relations for species in entities are averaged from the microscale to the macroscale. Finally, we comment on alternative approaches that can be used to connect species and entity conservation equations to a constrained system entropy inequality, which is a key component of the TCAT approach. The formulations detailed in this work can be built upon to develop models for species transport and reactions in a variety of multiphase systems.

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http://dx.doi.org/10.1016/j.advwatres.2007.11.004DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2587001PMC
March 2008

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