A novel physisorption model based on mathematical morphology operators preserving exact pore morphology and connectivity

Complex large models of multi-scale microstructures porous media do not exist in a manner adequately efficient to render their comprehensive analysis textural and structural properties possible. The simulation experimental processes, such as gas adsorption, raises two issues. First, the modeling these complex materials must be sufficiently realistic. This implies that numerical twin material consider three essential aspects: spatial structure defining different scales porosity, comparable real irregular pore morphology. Secondly, algorithms developed mimic quasi-static phase transition behavior fluids realistic manner. proposed approach allows handle physico-chemical phenomena inside by means well-established mathematical operators. Morphological operators are used efficiently processes surface adsorption filling. Fluid percolation provokes is simulated labeled connected components. method relies entirely on morphological operators, which has advantage substantially reducing calculation time compared density functional theory molecular simulations-based approaches. In contrast oversimplified characterized ideal shape unconnected pores, our enables us calculate isotherm random where morphology network topology unknown beforehand. We demonstrate model succeed reproducing well-known (SBA-15 KIT-5) mesoporous alumina, represented Cox Boolean models.