A computational study of CO2, N2, and CH4 adsorption in zeolites

被引：0
|
作者：
E. García-Pérez
J. B. Parra
C. O. Ania
A. García-Sánchez
J. M. van Baten
R. Krishna
D. Dubbeldam
S. Calero
机构：
[1] University Pablo de Olavide,Department of Physical, Chemical and Natural Systems
[2] Instituto Nacional del Carbón,Energy and Environment Department
[3] CSIC,van ’t Hoff Institute for Molecular Sciences
[4] University of Amsterdam,Chemical and Biological Engineering Department
[5] Northwestern University,undefined
来源：
Adsorption | 2007年 / 13卷
关键词：
Adsorption isotherms; Zeolites; Separations; Carbon dioxide; Methane; Nitrogen;
D O I：
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中图分类号：
学科分类号：
摘要：
The adsorption properties of CO2, N2 and CH4 in all-silica zeolites were studied using molecular simulations. Adsorption isotherms for single components in MFI were both measured and computed showing good agreement. In addition simulations in other all silica structures were performed for a wide range of pressures and temperatures and for single components as well as binary and ternary mixtures with varying bulk compositions. The adsorption selectivity was analyzed for mixtures with bulk composition of 50:50 CO2/CH4, 50:50 CO2/N2, 10:90 CO2/N2 and 5:90:5 CO2/N2/CH4 in MFI, MOR, ISV, ITE, CHA and DDR showing high selectivity of adsorption of CO2 over N2 and CH4 that varies with the type of crystal and with the mixture bulk composition.
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页码：469 / 476
页数：7
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