Pr. Vantassel, THEORETICAL-STUDIES OF THE AVAILABLE VOLUME FOR ADSORPTION IN A RANDOM QUENCHED AND DEPLETED DISORDERED MEDIUM, The Journal of chemical physics, 107(22), 1997, pp. 9530-9534
The use of a removable template during synthesis of a disordered porou
s material can result in a material of greatly differing pore structur
e. We present here a theoretical study of the influence of a template
on the material's available volume. We model the material as a medium
formed by quenching and depleting an equilibrium fluid and develop a t
heoretical method by which the available volume for adsorption in this
model material may be investigated. This method makes use of the know
n relationship between the direct correlation function and the availab
le volume. An analysis of the diagrams contributing to the available v
olume shows that two types of field points are present: those correspo
nding to the density of the medium following depletion (rho) and those
corresponding to the density of the original quenched fluid (rho(q)).
A perturbation term to the available volume is derived that accounts
for the diagrams containing rho(q) field points. The resulting express
ion contains only the direct and total correlation function; these qua
ntities are known exactly for a hard sphere system within the Percus-Y
evick approximation. Using this approach, we show that for materials o
f a given density, those formed by depletion can possess available vol
umes enhanced by up to an order of magnitude. (C) 1997 American Instit
ute of Physics.