We have investigated a model for a polymerizing fluid in which each of the particles has two bonding sites, such that chains can be formed via a chemical association mechanism. The fluid model is considered to be in a random quenched microporous matrix. The matrix species are assumed to be either im
Adsorption of a Hard Sphere Fluid in a Disordered Polymerized Matrix: Application of the Replica Ornstein–Zernike Equations
✍ Scribed by Orest Pizio; Andrij Trokhymchuk; Douglas Henderson; Stanislav Labik
- Publisher
- Elsevier Science
- Year
- 1997
- Tongue
- English
- Weight
- 214 KB
- Volume
- 191
- Category
- Article
- ISSN
- 0021-9797
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✦ Synopsis
in a hard sphere matrix. More sophisticated models that A model of hard spheres adsorbed in disordered porous media include attractive interactions have been proposed and invesis studied using the associative replica Ornstein-Zernike (ROZ) tigated (8-12) by means of computer simulations, the ROZ equations. Extending previous studies of adsorption in a hard theory, and the Madden-Glandt Ornstein-Zernike equasphere matrices, we investigate a polymerized matrix. We consider tions (13-15). This earlier approach represents a particular an associating fluid of hard spheres with two intracore attractive case of a rigorous ROZ theory if the Percus-Yevick (PY) sites per particle; consequently chains consisting of overlapping or the mean spherical approximation (MSA) is used in the hard spheres can be formed due to the chemical association. This ROZ equations, as shown in (3,4).
is the generalization of the model with sites on the surface of
The ROZ theory has been combined (16-18) with the Wertheim that has been studied in the bulk by Chang and Sandler.
The matrix structure is obtained in the polymer Percus-Yevick method of Wertheim for association phenomena in fluids approximation. We solve the ROZ equations in the associative (19)(20)(21)(22). We have shown very recently (16,17), that the hypernetted chain approximation. The pair distribution functions, results following from the associative ROZ equations agree the fluid compressibility, the equation of state and chemical potenvery well with computer simulation results obtained by Vega tial of the adsorbed fluid are obtained and discussed. It is shown et al. (11) for the model of Kaminsky and Monson for that the adsorption of a hard sphere fluid in a matrix at given adsorption of methane in xerosilica gel (10). Worth mendensity, but consisting of longer chains of overlapping hard tioning that computer simulations of fluids in disordered spheres, is higher than the adsorption of this fluid in a hard sphere porous media are very time consuming. A computer simumatrix.
📜 SIMILAR VOLUMES
A model of hard spheres adsorbed in a disordered quenched matrix of chain molecules is studied by using the replica Ornstein-Zernike equations and grand canonical Monte Carlo simulations. The pair distribution functions and the adsorption isotherms are obtained and discussed. The theory agrees well