Understanding adsorption/desorption hysteresis for fluids in mesoporous materials using simple molecular models and classical density functional theory

PA Monson - Microporous and Mesoporous Materials, 2012 - Elsevier
In this tutorial review, we discuss the use of classical density functional theory (DFT) to
understand adsorption/desorption hysteresis phenomena for fluids confined in mesoporous …

Fluids adsorbed in narrow pores: phase equilibria and structure

R Evans - Journal of Physics: Condensed Matter, 1990 - iopscience.iop.org
When gases or liquids are adsorbed in narrow pores or capillaries their properties are
significantly different from those in a bulk phase. This article reviews recent developments in …

Phase separation in confined systems

LD Gelb, KE Gubbins, R Radhakrishnan… - Reports on Progress …, 1999 - iopscience.iop.org
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 …

A new analysis method for the determination of the pore size distribution of porous carbons from nitrogen adsorption measurements

NA Seaton, J Walton - Carbon, 1989 - Elsevier
A new analysis method has been developed for the determination of the pore size
distribution of porous carbons from nitrogen adsorption measurements. The method is …

Characterization of porous glasses: Simulation models, adsorption isotherms, and the Brunauer− Emmett− Teller analysis method

LD Gelb, KE Gubbins - Langmuir, 1998 - ACS Publications
We have developed a realistic model for studying adsorption in porous glasses which
reproduces the complex structure of these materials. The model porous material is …

Curvature and parametric sensitivity in models for adsorption in micropores

A Saito, HC Foley - AIChE journal, 1991 - Wiley Online Library
The sensitivity of the calculated micropore size of zeolite Y in a fluidized cracking catalyst
based on empirical models for argon adsorption has been tested by examining the effect of …

Water in porous carbons

JK Brennan, TJ Bandosz, KT Thomson… - Colloids and surfaces A …, 2001 - Elsevier
We present an overview of progress in understanding the behavior of water in porous
carbons at the molecular level. We survey experimental investigations, semi-empirical …

[HTML][HTML] Density functional theory model for calculating pore size distributions: pore structure of nanoporous catalysts

PI Ravikovitch, GL Haller, AV Neimark - Advances in colloid and interface …, 1998 - Elsevier
Using the example of nanoporous catalysts, we discuss the non-local density functional
theory (NLDFT) model applied to physical adsorption of nitrogen and argon. The model has …

Capillary hysteresis in nanopores: theoretical and experimental studies of nitrogen adsorption on MCM-41

PI Ravikovitch, SCÓ Domhnaill, AV Neimark, F Schüth… - Langmuir, 1995 - ACS Publications
Capillary hysteresis in cylindrical nanopores has been studied using MCM-41 as the prime
example of a mesoporous material. These materials, due to their regular pore structure, can …

Liquid–vapor oscillations of water in hydrophobic nanopores

O Beckstein, MSP Sansom - Proceedings of the National …, 2003 - National Acad Sciences
Water plays a key role in biological membrane transport. In ion channels and water-
conducting pores (aquaporins), one-dimensional confinement in conjunction with strong …