Felix Faber, Nicole Vorhauer-Huget, Maximilian Thomik, Sebastian Gruber, Petra Foerst, Evangelos Tsotsas
This study presents a pore network (PN) model with transient heat transfer and quasi-steady transitional vapor transport that is for the first time applied to irregular porous structures that are obtained by reconstruction of X-ray tomography image data. In contrast to previous studies, the irregular pores are not approximated by spheres but implemented in their original shape. Secondly, instead of assuming cylindrical throats as pore connections, the actual distance between pore centers as well as the pore cross sections are used for the computation of the vapor transport coefficient. The control volume elements of the computational model are matched with the cells obtained by Voronoi tessellation. The improvements have clear advantages over former approaches where the reconstructed void space is usually strongly simplified by balls and sticks confined in a regular lattice structure. A freeze-dried sample of maltodextrin DE12 with 20% (w/w) solid content is used for benchmarking the new methodology. Its morphological and thermal properties are determined by the novel PN model. The simulation results of primary freeze-drying (FD) are compared to reference cases in two ways. First, the differences in heat and mass transfer kinetics as compared to regular PNs are emphasized. Secondly, the PN simulation results are confronted with a simple literature model that neglects pore size distribution (PSD) and transient heat transfer. It is shown that already in small domains with relatively narrow PSD, the variation of the mass transfer coefficient affects the computed sublimation fluxes and yields a significant deviation from the simpler literature model. Moreover, it is revealed in this study that the structure has a significant impact on the sublimation front temperature. This is demonstrated by the comparison of FD in the irregular PN to a regular PN with almost identical PSD but different porosity. The development, verification, and benchmarking of the new PN model can be seen as an important step for studies of the structure dependence of FD.