Adsorption in zeolites : intermolecular interactions and computer simulation

[1]  A. Fuchs,et al.  Grand Canonical Monte Carlo Simulations of Adsorption of Polar and Nonpolar Molecules in NaY Zeolite , 1996 .

[2]  D. Douguet,et al.  The Adsorption of Argon and Nitrogen in Silicalite-1 Zeolite: A Grand Canonical Monte-Carlo study , 1996 .

[3]  R. Pellenq,et al.  INTERMOLECULAR POTENTIAL FUNCTIONS FOR ADSORPTION IN ZEOLITES STATE OF THE ART AND EFFECTIVE MODELS , 1996 .

[4]  A. Fuchs,et al.  MOLECULAR SIMULATION STUDY OF THE STRUCTURAL REARRANGEMENT OF METHANE ADSORBED IN ALUMINOPHOSPHATE ALPO4-5 , 1996 .

[5]  R. Pellenq,et al.  The role of three-body interactions in the adsorption of argon in silicalite-1 , 1995 .

[6]  R. Pellenq,et al.  ADSORPTION OF ARGON IN SILICALITE. A SEMIEMPIRICAL QUANTUM MECHANICAL STUDY OF THE REPULSIVE INTERACTION , 1995 .

[7]  R. Pellenq,et al.  Grand Ensemble Monte Carlo Simulation of Simple Molecules Adsorbed in Silicalite-1 Zeolite , 1995 .

[8]  J. Bellat,et al.  Adsorption of gaseous p-xylene and m-xylene on NaY, KY, and BaY zeolites. Part 2: Modeling. Enthalpies and entropies of adsorption , 1995 .

[9]  J. Bellat,et al.  Adsorption of gaseous p-xylene and m-xylene on NaY, KY, and BaY zeolites: Part 1. Adsorption equilibria of pure xylenes , 1995 .

[10]  R. Pellenq,et al.  Intermolecular Potential Function for the Physical Adsorption of Rare Gases in Silicalite , 1994 .

[11]  O. Talu,et al.  Effect of cations on methane adsorption by NaY, MgY, CaY, SrY, and BaY zeolites , 1993 .

[12]  J. Patarin,et al.  Adsorption by MFI-type zeolites examined by isothermal microcalorimetry and neutron diffraction. 1. Argon, krypton, and methane , 1993 .

[13]  B. Boddenberg,et al.  Isosteric heats of adsorption of xenon in silver-exchanged Y zeolites , 1993 .

[14]  R. Cracknell,et al.  Molecular simulation of adsorption and diffusion in VPI-5 and other aluminophosphates , 1993 .

[15]  N. Tosi-Pellenq,et al.  A microcalorimetric comparison of the adsorption of various gases on two microporous adsorbents: a model aluminophosphate and a natural clay , 1992 .

[16]  W. H. Baur.  Self-limiting distortion by antirotating hinges is the principle of flexible but noncollapsible frameworks , 1992 .

[17]  N. Pyper.  Four Important Factors in the ab initio Determination of Accurate Inter-Ionic Potentials , 1990 .

[18]  P. Fowler.  A User's Guide to Polarisabilities and Dispersion Coefficients for Ions in Crystals , 1990 .

[19]  T. Cheung,et al.  /sup 129/Xe NMR of xenon adsorbed in Y zeolites at 144 K , 1988 .

[20]  Paul Geerlings,et al.  Intrinsic framework electronegativity: A novel concept in solid state chemistry , 1987 .

[21]  D. Ruthven,et al.  Sorption and diffusion of C8 aromatic hydrocarbons in faujasite type zeolites. I. Equilibrium isotherms and separation factors , 1986 .

[22]  A. V. Kiselev,et al.  Molecular statistical calculation of gas adsorption by silicalite , 1985 .

[23]  K. Tang,et al.  An improved simple model for the van der Waals potential based on universal damping functions for the dispersion coefficients , 1984 .

[24]  H. Böhm,et al.  A study of short‐range repulsions , 1982 .

[25]  G. Matthews,et al.  An intermolecular pair potential energy function for methane , 1976 .

[26]  R. J. Neddenriep.  Sodium cation adsorption sites in zeolite types X and Y , 1968 .

[27]  H. C. Foley,et al.  High-resolution nitrogen and argon adsorption on ZSM-5 zeolites: effects of cation exchange and SiAl ratio , 1995 .

[28]  P. Llewellyn,et al.  Investigation on the Adsorption of N2 Ar, CO and CH4 on Aluminophosphates , 1994 .

[29]  R. Pellenq,et al.  In-Crystal Oxygen Polarizability For Porous And Non-Porous Materials , 1994 .

[30]  R. Pellenq,et al.  Rare Gas Probes for Energetic Heterogeneity in Zeolite Pores: Theory And Simulation , 1994 .

[31]  J. Coulomb,et al.  Crystalline structure analysis by neutron diffraction of argon sorbed phases observed in the high loading regime of silicalite I and ZSM-5 (Si/Al=23) zeolites. , 1994 .

[32]  B. Boddenberg,et al.  Cadmium-exchanged Y zeolites studied with carbon monoxide and xenon as probes , 1994 .

[33]  R. Pellenq,et al.  In-framework ion dipole polarizabilities in non-porous and porous silicates and aluminosilicates, determined from Auger electron spectroscopy data , 1993 .

[34]  E. W. Sheppard,et al.  Argon Sorption in ZSM-5 , 1993 .

[35]  J. Coulomb,et al.  Sorption of argon and nitrogen on network types of zeolites and aluminophosphates , 1991 .

[36]  A. Bell,et al.  Molecular dynamics study of methane and xenon in silicalite [Erratum to document cited in CA113(20):183284q] , 1991 .

[37]  John S. Rowlinson,et al.  Computer simulations of fluids in zeolites X and Y , 1989 .

[38]  D. Nicholson,et al.  Simulation studies of the fluid–solid monolayer transition in argon adsorbed on graphite at 77.5 K , 1986 .

[39]  P. Q. Du,et al.  Molecular statistical calculation of the thermodynamic adsorption characteristics of zeolites using the atom–atom approximation. Part 2.—Adsorption of non-polar and polar inorganic molecules by zeolites of types X and Y , 1981 .