Upscaling the diffusion equations in particulate media made of highly conductive particles. I. Theoretical aspects.

Many analytical and numerical works have been devoted to the prediction of macroscopic effective transport properties in particulate media. Usually, structure and properties of macroscopic balance and constitutive equations are stated a priori. In this paper, the upscaling of the transient diffusion equations in concentrated particulate media with possible particle-particle interfacial barriers, highly conductive particles, poorly conductive matrix, and temperature-dependent physical properties is revisited using the homogenization method based on multiple scale asymptotic expansions. This method uses no a priori assumptions on the physics at the macroscale. For the considered physics and microstructures and depending on the order of magnitude of dimensionless Biot and Fourier numbers, it is shown that some situations cannot be homogenized. For other situations, three different macroscopic models are identified, depending on the quality of particle-particle contacts. They are one-phase media, following the standard heat equation and Fourier's law. Calculations of the effective conductivity tensor and heat capacity are proved to be uncoupled. Linear and steady state continuous localization problems must be solved on representative elementary volumes to compute the effective conductivity tensors for the two first models. For the third model, i.e., for highly resistive contacts, the localization problem becomes simpler and discrete whatever the shape of particles. In paper II [Vassal, Phys. Rev. E 77, 011303 (2008)], diffusion through networks of slender, wavy, entangled, and oriented fibers is considered. Discrete localization problems can then be obtained for all models, as well as semianalytical or fully analytical expressions of the corresponding effective conductivity tensors.

Upscaling the diffusion equations in particulate media made of highly conductive particles. II. Application to fibrous materials.

In paper I [Vassal, Phys. Rev. E77, 011302 (2008)] of this contribution, the effective diffusion properties of particulate media with highly conductive particles and particle-particle interfacial barriers have been investigated with the homogenization method with multiple scale asymptotic expansions. Three different macroscopic models have been proposed depending on the quality of contacts between particles. However, depending on the nature and the geometry of particles contained in representative elementary volumes of the considered media, localization problems to be solved to compute the effective conductivity of the two first models can rapidly become cumbersome, time and memory consuming. In this second paper, the above problem is simplified and applied to networks made of slender, wavy and entangled fibers. For these types of media, discrete formulations of localization problems for all macroscopic models can be obtained leading to very efficient numerical calculations. Semianalytical expressions of the effective conductivity tensors are also proposed under simplifying assumptions. The case of straight monodisperse and homogeneously distributed slender fibers with a circular cross section is further explored. Compact semianalytical and analytical estimations are obtained when fiber-fiber contacts are perfect or very poor. Moreover, two discrete element codes have been developed and used to solve localization problems on representative elementary volumes for the same types of contacts. Numerical results underline the significant roles of the fiber content, the orientation of fibers as well as the relative position and orientation of contacting fibers on the effective conductivity tensors. Semianalytical and analytical predictions are discussed and compared with numerical results.