Transmission probabilities and particle-wall contact for Knudsen diffusion in pores of variable diameter

Simón E. Albo; Linda J. Broadbelt; Randall Q. Snurr

doi:10.1016/j.ces.2007.08.041

Transmission probabilities and particle-wall contact for Knudsen diffusion in pores of variable diameter

Simón E. Albo, Linda J. Broadbelt, Randall Q. Snurr^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

Knudsen dynamics simulations were performed in cylindrical pores with multiple sections of different diameters. The number and location of hits between particles and the pore walls can be related to the known distributions in the uniform diameter cases. Both sweep-gas and pass-through modes of operation were examined. The contact of the particles traveling inside the pores with the pore walls can be regulated by adjusting the aspect ratio (section length/section diameter) of the pore sections and the ratio of their cross-sectional areas. The results were found to be independent of the transition angle between sections except for very smooth transitions. Analytical expressions were developed to relate the transmission probability in pores of multiple sections to the transmission probabilities of the constituent sections.

Original language	English (US)
Pages (from-to)	6843-6850
Number of pages	8
Journal	Chemical Engineering Science
Volume	62
Issue number	23
DOIs	https://doi.org/10.1016/j.ces.2007.08.041
State	Published - Dec 2007

Keywords

Catalysis
Diffusion
Knudsen
Mass transfer
Porous media
Simulation

ASJC Scopus subject areas

Chemistry(all)
Chemical Engineering(all)
Industrial and Manufacturing Engineering

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title = "Transmission probabilities and particle-wall contact for Knudsen diffusion in pores of variable diameter",

abstract = "Knudsen dynamics simulations were performed in cylindrical pores with multiple sections of different diameters. The number and location of hits between particles and the pore walls can be related to the known distributions in the uniform diameter cases. Both sweep-gas and pass-through modes of operation were examined. The contact of the particles traveling inside the pores with the pore walls can be regulated by adjusting the aspect ratio (section length/section diameter) of the pore sections and the ratio of their cross-sectional areas. The results were found to be independent of the transition angle between sections except for very smooth transitions. Analytical expressions were developed to relate the transmission probability in pores of multiple sections to the transmission probabilities of the constituent sections.",

keywords = "Catalysis, Diffusion, Knudsen, Mass transfer, Porous media, Simulation",

author = "Albo, {Sim{\'o}n E.} and Broadbelt, {Linda J.} and Snurr, {Randall Q.}",

note = "Funding Information: This work was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy Grant no. DE-FG02-03ER15457.",

year = "2007",

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doi = "10.1016/j.ces.2007.08.041",

language = "English (US)",

volume = "62",

pages = "6843--6850",

journal = "Chemical Engineering Science",

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publisher = "Elsevier BV",

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T1 - Transmission probabilities and particle-wall contact for Knudsen diffusion in pores of variable diameter

AU - Albo, Simón E.

AU - Broadbelt, Linda J.

AU - Snurr, Randall Q.

N1 - Funding Information: This work was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy Grant no. DE-FG02-03ER15457.

PY - 2007/12

Y1 - 2007/12

N2 - Knudsen dynamics simulations were performed in cylindrical pores with multiple sections of different diameters. The number and location of hits between particles and the pore walls can be related to the known distributions in the uniform diameter cases. Both sweep-gas and pass-through modes of operation were examined. The contact of the particles traveling inside the pores with the pore walls can be regulated by adjusting the aspect ratio (section length/section diameter) of the pore sections and the ratio of their cross-sectional areas. The results were found to be independent of the transition angle between sections except for very smooth transitions. Analytical expressions were developed to relate the transmission probability in pores of multiple sections to the transmission probabilities of the constituent sections.

AB - Knudsen dynamics simulations were performed in cylindrical pores with multiple sections of different diameters. The number and location of hits between particles and the pore walls can be related to the known distributions in the uniform diameter cases. Both sweep-gas and pass-through modes of operation were examined. The contact of the particles traveling inside the pores with the pore walls can be regulated by adjusting the aspect ratio (section length/section diameter) of the pore sections and the ratio of their cross-sectional areas. The results were found to be independent of the transition angle between sections except for very smooth transitions. Analytical expressions were developed to relate the transmission probability in pores of multiple sections to the transmission probabilities of the constituent sections.

KW - Catalysis

KW - Diffusion

KW - Knudsen

KW - Mass transfer

KW - Porous media

KW - Simulation

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JF - Chemical Engineering Science

SN - 0009-2509

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Transmission probabilities and particle-wall contact for Knudsen diffusion in pores of variable diameter

Abstract

Keywords

ASJC Scopus subject areas

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