Partition Coefficients for Distribution of Rigid Non-Axisymmetric Solutes between Bulk Solution and Porous Phases: Toward Shape-Selective Separations with Controlled-Pore Materials

Johannes M. Nitsche; Kirk W. Limbach

doi:10.1021/ie00029a039

Partition Coefficients for Distribution of Rigid Non-Axisymmetric Solutes between Bulk Solution and Porous Phases: Toward Shape-Selective Separations with Controlled-Pore Materials

Johannes M. Nitsche
, Kirk W. Limbach

Department of Chemical and Biological Engineering

Dow Chemical

Research output: Contribution to journal › Comment/debate

5 Scopus citations

Abstract

Perturbation arguments are used to derive an approximate formula for partition coefficients of non-axisymmetric Y-shaped molecules in circular cylindrical pores. Quantitative accuracy thereof is verified by comparison with Monte Carlo calculations for star-shaped solutes. Results are used to calculate macroscopically observable partition coefficients in polydispersed porous materials, and implications for solute shape-selective separations are discussed.

Original language	English
Pages (from-to)	1391-1396
Number of pages	6
Journal	Industrial and Engineering Chemistry Research
Volume	33
Issue number	5
DOIs	https://doi.org/10.1021/ie00029a039
State	Published - May 1 1994

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10.1021/ie00029a039

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title = "Partition Coefficients for Distribution of Rigid Non-Axisymmetric Solutes between Bulk Solution and Porous Phases: Toward Shape-Selective Separations with Controlled-Pore Materials",

abstract = "Perturbation arguments are used to derive an approximate formula for partition coefficients of non-axisymmetric Y-shaped molecules in circular cylindrical pores. Quantitative accuracy thereof is verified by comparison with Monte Carlo calculations for star-shaped solutes. Results are used to calculate macroscopically observable partition coefficients in polydispersed porous materials, and implications for solute shape-selective separations are discussed.",

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year = "1994",

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Partition Coefficients for Distribution of Rigid Non-Axisymmetric Solutes between Bulk Solution and Porous Phases: Toward Shape-Selective Separations with Controlled-Pore Materials. / Nitsche, Johannes M.; Limbach, Kirk W.
In: Industrial and Engineering Chemistry Research, Vol. 33, No. 5, 01.05.1994, p. 1391-1396.

Research output: Contribution to journal › Comment/debate

TY - JOUR

T1 - Partition Coefficients for Distribution of Rigid Non-Axisymmetric Solutes between Bulk Solution and Porous Phases

T2 - Toward Shape-Selective Separations with Controlled-Pore Materials

AU - Nitsche, Johannes M.

AU - Limbach, Kirk W.

PY - 1994/5/1

Y1 - 1994/5/1

N2 - Perturbation arguments are used to derive an approximate formula for partition coefficients of non-axisymmetric Y-shaped molecules in circular cylindrical pores. Quantitative accuracy thereof is verified by comparison with Monte Carlo calculations for star-shaped solutes. Results are used to calculate macroscopically observable partition coefficients in polydispersed porous materials, and implications for solute shape-selective separations are discussed.

AB - Perturbation arguments are used to derive an approximate formula for partition coefficients of non-axisymmetric Y-shaped molecules in circular cylindrical pores. Quantitative accuracy thereof is verified by comparison with Monte Carlo calculations for star-shaped solutes. Results are used to calculate macroscopically observable partition coefficients in polydispersed porous materials, and implications for solute shape-selective separations are discussed.

UR - https://www.scopus.com/pages/publications/0012409139

U2 - 10.1021/ie00029a039

DO - 10.1021/ie00029a039

M3 - Comment/debate

AN - SCOPUS:0012409139

SN - 0888-5885

VL - 33

SP - 1391

EP - 1396

JO - Industrial and Engineering Chemistry Research

JF - Industrial and Engineering Chemistry Research

IS - 5

ER -

Partition Coefficients for Distribution of Rigid Non-Axisymmetric Solutes between Bulk Solution and Porous Phases: Toward Shape-Selective Separations with Controlled-Pore Materials

Abstract

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