Critical behavior in quenched random structures: Mean-field lattice-gas approach
A new mean‐field equation‐of‐state model is proposed for predicting the critical behavior of fluids confined in porous, random structures. The approach is based on a lattice‐gas formalism and incorporates effects of both fluid confinement and energetically heterogeneous interactions between fluid mo...
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Veröffentlicht in: | AIChE journal 2001-02, Vol.47 (2), p.463-473 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | A new mean‐field equation‐of‐state model is proposed for predicting the critical behavior of fluids confined in porous, random structures. The approach is based on a lattice‐gas formalism and incorporates effects of both fluid confinement and energetically heterogeneous interactions between fluid molecules and pore surfaces. The model was used to predict a variety of thermodynamic properties in these systems, including the dependence of the confined fluid's critical properties on the porosity and relative strength of fluid–fluid and fluid–pore interaction energies. The study of suface‐energy heterogeneities show that they significantly affect the critical temperature of the confined fluid, at a given porosity, compared to the uniform energy case. Comparison of the model performance with both grand canonical Monte Carlo simulation results and a set of adsorption data in a silica gel suggest that the approach taken here provides a useful analytic method for calculating physical properties in complex systems of this kind. |
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ISSN: | 0001-1541 1547-5905 |
DOI: | 10.1002/aic.690470223 |