We review the current state of knowledge of phase separation and phase equilibria in porous materials. Our emphasis is on fundamental studies of simple fluids (composed of small, neutral molecules) and well-characterized materials. While theoretical and molecular simulation studies are stressed, we also survey experimental investigations that are fundamental in nature. Following a brief survey of the most useful theoretical and simulation methods, we describe the nature of gas‐liquid (capillary condensation), layering, liquid‐liquid and freezing/melting transitions. In each case studies for simple pore geometries, and also more complex ones where available, are discussed. While a reasonably good understanding is available for phase equilibria of pure adsorbates in simple pore geometries, there is a need to extend the models to more complex pore geometries that include effects of chemical and geometrical heterogeneity and connectivity. In addition, with the exception of liquid‐liquid equilibria, little work has been done so far on phase separation for mixtures in porous media.

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Phase separation in confined systems

Preface. 1. Introductory Remarks. 2. Fundamental Factors for Designing Adsorbent. 3. Sorbent Selection: Equilibrium Isotherms, Diffusion, Cyclic Processes, and Sorbent Selection Criteria. 4. Pore Size Distribution. 5. Activated Carbon. 6. Silica Gel, MCM, and Activated Alumina. 7. Zeolites and Molecular Sieves. 8. &pi -Complexation Sorbents and Applications. 9. Carbon Nanotubes, Pillared Clays, and Polymeric Resins. 10. Sorbents for Applications. Author Index. Subject Index.

/pdf/adsorbents-fundamentals-and-applications-2732spmgdj.pdf

Adsorbents: Fundamentals and Applications

Supramolecular chemistry has expanded dramatically in recent years both in terms of potential applications and in its relevance to analogous biological systems. The formation and function of supramolecular complexes occur through a multiplicity of often difficult to differentiate noncovalent forces. The aim of this Review is to describe the crucial interaction mechanisms in context, and thus classify the entire subject. In most cases, organic host-guest complexes have been selected as examples, but biologically relevant problems are also considered. An understanding and quantification of intermolecular interactions is of importance both for the rational planning of new supramolecular systems, including intelligent materials, as well as for developing new biologically active agents.

Binding Mechanisms in Supramolecular Complexes

Molecular recognition events in solution are affected by many different factors that have hampered the development of an understanding of intermolecular interactions at a quantitative level. Our tendency is to partition these effects into discrete phenomenological fields that are classified, named, and divorced: aromatic interactions, cation-pi interactions, CH-O hydrogen bonds, short strong hydrogen bonds, and hydrophobic interactions to name a few.1 To progress in the field, we need to develop an integrated quantitative appreciation of the relative magnitudes of all of the different effects that might influence the molecular recognition behavior of a given system. In an effort to navigate undergraduates through the vast and sometimes contradictory literature on the subject, I have developed an approach that treats theoretical ideas and experimental observations about intermolecular interactions in the gas phase, the solid state, and solution from a single simplistic viewpoint. The key features are outlined here, and although many of the ideas will be familiar, the aim is to provide a semiquantitative thermodynamic ranking of these effects in solution at room temperature.

Quantifying intermolecular interactions: guidelines for the molecular recognition toolbox.

Chemistry of coordination space of porous coordination polymers

Introduction Theoretical calculation of intermolecular forces Gas imperfections Molecular collisions The kinetic theory of non-uniform dilute gases The transport properties of gases and intermolecular forces Spectroscopic measurements Condensed phases Intermolecular forces: The present position Appendices Substance index Index.

Intermolecular Forces: Their Origin and Determination

The nature of intermolecular forces Molecular beams Spectroscopic measurements Gas imperfection The transport properties of gases The solid state The liquid state Potential functions - the state of the art.

The Forces Between Molecules

The intermolecular potential energy function for the Ne-N2 interaction has been studied. New ab initio calculations of the short range energy have been carried out and these form the basis of the repulsive part of the potential. The long range potential uses published results for the dispersion energy coefficients and various types of damping function have been applied to the dispersion energy at medium and short separations. The best overall forms of potential have been assessed by critical comparisons with experimental results for the interaction second virial coefficients and the low pressure viscosity and diffusion coefficients.

Intermolecular potential functions for the Ne-N2 interaction

In and out of the laboratory

The coefficients of shear viscosity and self-diffusion for nitrogen in the dilute gas limit have been calculated within the Mason-Monchick approximation using the intermolecular potential surfaces of Berns and van der Avoird and van Hemert and Berns. The same potentials had previously been used in transport property calculations using the classical limit of the Wang Chang, Uhlenbeck and de Boer theory. Comparisons between the results for each potential surface using the different transport theories reveal surprising discrepancies which increase with increasing temperature. Possible causes of this behaviour are considered.

Transport properties of diatomic gases

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