Constrained equilibrium as a tool for characterization of deformable porous media

TL;DR

This paper introduces a novel method for characterizing deformable porous media using constrained equilibrium states and adsorption isotherms, linking loop parameters to host morphology through perturbation theory and simulations.

Contribution

It presents a new approach combining constrained equilibrium analysis with simulations to relate adsorption behavior to porous material structure.

Findings

Link between loop parameters and host morphology established

Characterization of porous matrices via pseudo-critical point shifts

Shape analysis of pseudo-spinodals provides structural insights

Abstract

A new method for characterizing the deformable porous materials with non-critical adsorption probes is proposed. The mechanism is based on a driving the adsorbate through a sequence of constrained equilibrium states with the insertion isotherms forming a pseudo-critical point or a van der Waals-type loop. In the framework of a perturbation theory and Monte Carlo simulations we have found a link between the loop parameters and the host morphology. This allows one to characterize porous matrices through analyzing a shift of the pseudo-critical point and a shape of the pseudo-spinodals.