화학공학소재연구정보센터
Particle & Particle Systems Characterization, Vol.23, No.1, 48-60, 2006
Domain complexion diagrams related to mercury intrusion-extrusion in Monte Carlo-simulated porous networks
Porous networks of sites (cavities) and bonds (throats) are simulated by a Monte Carlo procedure; the connectivity (C) being the mean number of bonds surrounding a site. For simulating Hg intrusion-extrusion processes, canthotaxis at site-bond joints and snap-off of Hg threads are considered. Hg porosimetry is illustrated in terms of domain complexion diagrams (DCD), these being graphs that depict the sites and bonds of given sizes that are either Hg-filled or not. DCD plots show that during Hg intrusion: (i) the capillary resistance to Hg access becomes smaller as C increases, the bond sizes get larger, and canthotaxis is absent; (ii) in highly pore size correlated networks, the Hg filling sequence of sites occurs from the larger to the smaller voids; (iii) in lowly pore size correlated networks, Hg intrusion occurs homogeneously with respect to the whole set of site sizes. During extrusion, Hg entrapment is more intense when: (i) C is low, (ii) the pore size correlation is small, and (iii) the snap-off phenomenon is extensive. Hg extrusion DCD plots show that for high C: (i) Hg is trapped inside the largest sites if the pore size correlation is null or medium; and (ii) at higher pore size correlations, Hg is retained over a wide range of site sizes. For networks of low C, Hg is trapped over a wide variety of cavity sizes irrespective of the pore size correlation.