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          Institute: MPI für Dynamik komplexer technischer Systeme     Collection: Physical and Chemical Foundations of Process Engineering     Display Documents



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ID: 494428.0, MPI für Dynamik komplexer technischer Systeme / Physical and Chemical Foundations of Process Engineering
Statistical analysis of packed beds, the origin of short-range disorder, and its impact on eddy dispersion
Authors:Khirevich, S.; Daneyko, A.; Höltzel, A.; Seidel-Morgenstern, A.; Tallarek, U.
Language:English
Date of Publication (YYYY-MM-DD):2010
Title of Journal:Journal of Chromatography A
Volume:1217
Issue / Number:28
Start Page:4713
End Page:4722
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:We quantified the microstructural disorder of packed beds and correlated it with the resulting eddy dispersion. For this purpose we designed a set of bulk (unconfined) monodisperse random sphere packings with a systematic, protocol-dependent degree of microstructural heterogeneity, covering a porosity range from the random-close to the random-loose packing limit (ε = 0.366–0.46). With the precise knowledge of particle positions, size, and shape we conducted a Voronoï tessellation of all packings and correlated the statistical moments of the Voronoï volume distributions (standard deviation and skewness) with the porosity and the protocol-dependent microstructural disorder. The deviation of the Voronoï volume distributions from the delta function of a crystalline packing describes the origin of short-range disorder of the investigated random packings. Eddy dispersion was simulated over a wide range of reduced velocities (0.5 ≤ ν ≤ 750) and analyzed with the comprehensive Giddings equation. Transient dispersion was found to correlate with the spatial scales of heterogeneity in the packings. The analysis of short-range disorder based on the Voronoï volume distributions revealed a strong correlation with the short-range interchannel contribution to eddy dispersion, whereas transchannel dispersion was relatively little affected. The presented approach defines a strictly scientific route to the key morphology–transport relationships of current and future chromatographic supports, including their morphological reconstruction, statistical analysis, and the correlation with relevant transport phenomena. It also guides us in our understanding, comparison, and optimization of the diverse packing algorithms and protocols used in simulations and experimental studies.

© 2010 Elsevier B.V. All rights reserved.
[accessed September 20th, 2010]
Free Keywords:Packed beds; Packing method; Ordered packing; Random packing; Disorder; Degree of heterogeneity; Microstructure; Statistical analysis; Voronoï tessellation; Voronoï volume distribution; Eddy dispersion; Direct numerical simulation; Lattice-Boltzmann method; High-performance computing
External Publication Status:published
Document Type:Article
Communicated by:Andreas Seidel-Morgenstern
Affiliations:MPI für Dynamik komplexer technischer Systeme/Physical and Chemical Foundations of Process Engineering
External Affiliations:Philipps-Universität Marburg,
Department of Chemistry,
Hans-Meerwein-Strasse, 35032 Marburg, Germany

Otto-von-Guericke-Universität Magdeburg,
Department of Chemistry,
Universitätsplatz 2, 39106 Magdeburg, Germany
Identifiers:URL:http://dx.doi.org/10.1016/j.chroma.2010.05.019
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