Thermodynamics of fluids in random microporous materials from scaled particle theory

Abstract

Integral equation theory of the structure and thermodynamics of polymer blends J. Chem. Phys. 91, 5059 (1989); 10.1063/1.457598 A conjecture concerning transformation of a supercooled hard sphere liquid to a metastable disordered solid

Adsorption of a fluid in an aerogel: Integral equation approach

“…The value of G 01 (r; r; ρ 1 = 0) is determined in the Percus-Yevick approximation for various values of r between 0 and σ and the integral is estimated as a discrete sum. Note that a similar calculation has already been proposed by Ford et al [25] and appeared to be quite successful. The results of both estimations are reported in table I and show a very good agreement, thereby confirming the accuracy of the PY description of the reference system.…”

Partitioning of Polymerizing Fluids in Random Microporous Media: Application of the Replica Ornstein–Zernike Equations

“…c ij ff ͑r͒ ϭ f ff (non) ͑r͒ y ij ff ϩ F as ͑r͒ y 00 ff ͑r͒␦ ia ␦ jb , [11] where ␦ ij is the Kronecker symbol. The partial fluid-matrix and fluid-fluid cavity distribution functions in Eq.…”

“…It has been proved that the theory based on the ROZ equations provides a reasonable description of confined fluids in microporous media of much interest in interface science. However, complex fluids in disordered microporous media have been less studied (11)(12)(13).…”

Description of a Polar Molecular Liquid in a Disordered Microporous Material With Activating Chemical Groups by a Replica Rism Theory

“…A generalization to the inhomogeneous replica OZ theory was elaborated, and spatially inhomogeneous systems of quenched-annealed atomic fluids in spatial confinements of various geometry were studied [21]. The replica OZ formalism was extended to describe the structure and the thermodynamic properties of a multicomponent liquid mixture within a porous medium [25,22]. However, the case of a molecular liquid sorbed in a quenched matrix is more complicated.…”

“…Thompson and Glandt [24] combined the polymer RISM theory (PRISM) of Schweizer and Curro [37] with the MG formalism [3,5] to describe a polymer fluid of ideal freely jointed hard sphere chains in a hard sphere matrix. Ford, Thompson, and Glandt [25] further developed the MG-PRISM as well as MG-OZ methods to obtain the thermodynamic properties of fluids confined in disordered porous solids by using the scaled particle theory (SPT) approach. At the level of the MG approximation, however, the direct blocking effects essentially distinguishing a quenched disordered matrix, and important for ionic and polar molecular fluids are again neglected.…”