Advanced and delayed filling or emptying of pore entities by vapor sorption or liquid intrusion in simulated porous networks

Abstract

Recently, a combination of successive experimental sorption and intrusion processes, developed in the same porous material, has been found very useful to ascertain the mechanisms by which a specified fluid can fill or empty (cooperatively or not) the porous entities that constitute the substrate in question. Here, we have chosen porous substrates, modeled through the Dual Site-Bond Model, in order to simulate either sorption or intrusion–extrusion phenomena inside them. Afterwards, we have assessed the results obtained from these two techniques to describe the occurrence of cooperative phenomena during the filling or emptying of pore entities with a given fluid. The void entities involved in the development of irreversible phenomena (e.g. advanced adsorption, delayed intrusion, etc.) can be identified in each of these substrates in terms of their sizes and topology (i.e. the specific way by which these pores are interconnected to the other ones). The possible interrelation between assorted cooperative phenomena, taking place in the same porous adsorbent, is studied according to the type of porous material in hand.