Pore structure study by computer simulation of dense and loose packings ofspherical particles

Packings of spherical particles modeling monodisperse silica gels of varyin g density are constructed by the Monte Carlo method Each model contains 800 0 particles in a cube with periodic boundary conditions Models with densiti es (events of space filling) eta = 0.59 and eta = 0.37 were studied in deta il, For quantitative analysis of the structure of empty interparticle space , Voronoi-Delaunay geometrical constructions are used By analogy with the m ercury porosimetry method the "intrusion" curves, indicating the fraction o f the pore volume accessible for a probe of the gir en size are built, The results of a standard analysis of these curves and the real arrangement of interparticle space in these models are discussed. The approach using the n umerical simulation and the geometrical method suggested for model analysis is a promising trend in structural studies of porous materials.