Monte Carlo studies of adsorption in zeolite molecular sieves

Conference · Sun Jan 01 00:00:00 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-
• Journal Information: 71st AIChE Annu. Meet.; (United States), Vol. 72B; Conference: 71. meeting of the AICHE, Miami, FL, USA, 12 Nov 1978
• Country of Publication: United States
• Language: English

Related Subjects

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