Modelling issues in zeolite based separation processes

被引:177
作者
Krishna, R [1 ]
Baur, R [1 ]
机构
[1] Univ Amsterdam, Dept Chem Engn, NL-1018 WV Amsterdam, Netherlands
关键词
adsorption; diffusion; Monte Carlo simulations; molecular dynamics; Maxwell-Stefan theory; membrane permeation; chromatography;
D O I
10.1016/S1383-5866(03)00008-X
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
The Maxwell-Stefan (M-S) formulation is shown to be the most convenient and general way of describing diffusion within zeolite structures. This theory goes a long way to explain the observed various types of dependencies of the Fick diffusivity with sorbate loading. For mixture diffusion within zeolites, the M-S theory provides clues for the development of novel separation techniques that rely on diffusion selectivity. We illustrate this aspect by considering a number of practical applications in membrane permeation and chromatographic separations. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码:213 / 254
页数:42
相关论文
共 95 条
  • [71] Schiesser W. E., 1991, NUMERICAL METHOD LIN
  • [72] Adsorption and diffusion of n-hexane/2-methylpentane mixtures in zeolite silicalite:: Experiments and modeling
    Schuring, D
    Koriabkina, AO
    de Jong, AM
    Smit, B
    van Santen, RA
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (32): : 7690 - 7698
  • [73] INTRACRYSTALLINE DIFFUSION OF BENZENE IN SILICALITE - EFFECT OF STRUCTURAL HETEROGENEITY
    SHAH, DB
    GUO, CJ
    HAYHURST, DT
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1995, 91 (07): : 1143 - 1146
  • [74] INFLUENCE OF ADSORBATE SIZE AND ADSORBENT HETEROGENEITY ON IAST
    SIRCAR, S
    [J]. AICHE JOURNAL, 1995, 41 (05) : 1135 - 1145
  • [75] Why does the Linear Driving Force model for adsorption kinetics work?
    Sircar, S
    Hufton, JR
    [J]. ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, 2000, 6 (02): : 137 - 147
  • [76] Transport diffusivities of CH4, CF4, He, Ne, Ar, Xe, and SF6 in silicalite from atomistic simulations
    Skoulidas, AI
    Sholl, DS
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (19) : 5058 - 5067
  • [77] Direct tests of the Darken approximation for molecular diffusion in zeolites using equilibrium molecular dynamics
    Skoulidas, AI
    Sholl, DS
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2001, 105 (16): : 3151 - 3154
  • [78] Simulation of adsorption and diffusion of hydrocarbons in zeolites
    Smit, B
    Loyens, LDJC
    Verbist, GLMM
    [J]. FARADAY DISCUSSIONS, 1997, 106 : 93 - 104
  • [79] COMMENSURATE FREEZING OF ALKANES IN THE CHANNELS OF A ZEOLITE
    SMIT, B
    MAESEN, TLM
    [J]. NATURE, 1995, 374 (6517) : 42 - 44
  • [80] Monte Carlo simulations in zeolites
    Smit, B
    Krishna, R
    [J]. CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE, 2001, 5 (05) : 455 - 461