Monte Carlo studies of adsorption in zeolite molecular sieves

Conference · Sun Jan 01 04:00:00 EST 1978 · 71st AIChE Annu. Meet.; (United States)

OSTI ID:7119388

Soto, J L; Myers, A L

A model taking into account both the dispersion and electrostatic forces was developed for the behavior of molecules in molecular sieves. It requires experimental determination only of the solid-gas dispersion energy constant and the effective charge of the ions in the zeolite cavity. The model gave very good predictions of Henry's constant for argon, krypton, and xenon in 5A and 13X zeolites. It was used to predict adsorption isotherms for hard-sphere and Lennard-Jones molecules by a Monte Carlo simulation.

• Research Organization: Univ. of Pennsylvania
• OSTI ID: 7119388
• Report Number(s): CONF-781110-
• Conference Information: Journal Name: 71st AIChE Annu. Meet.; (United States) Journal Volume: 72B
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ADSORBENTS
ADSORPTION
ADSORPTION ISOTHERMS
ARGON
ELEMENTS
EQUATIONS
FLUIDS
GASES
INORGANIC ION EXCHANGERS
ION EXCHANGE MATERIALS
ISOTHERM
KRYPTON
MATERIALS
MATHEMATICAL MODELS
MINERALS
MOLECULAR MODELS
MOLECULAR SIEVES
MONTE CARLO METHOD
NONMETALS
PREDICTION EQUATIONS
RARE GASES
SIMULATION
SORPTION
SORPTIVE PROPERTIES
SURFACE PROPERTIES
XENON
ZEOLITES