Partitioning of nonspherical molecules between bulk solution and porous solids
作者:
Kirk W. Limbach,
Johannes M. Nitsche,
James Wei,
期刊:
AIChE Journal
(WILEY Available online 1989)
卷期:
Volume 35,
issue 1
页码: 42-52
ISSN:0001-1541
年代: 1989
DOI:10.1002/aic.690350105
出版商: American Institute of Chemical Engineers
数据来源: WILEY
摘要:
AbstractMonte Carlo simulation is used to calculate partition coefficients for rigid, axisymmetric, nonspherical molecules in various pore geometries. Novel quantitative results are presented for a variety of molecule and pore shapes, including pores of nonuniform cross‐section such as the interstitial space within granular and fibrous materials.Quick estimation methods for obtaining partition coefficients are discussed, and the effects of molecule and pore wall curvature are described in detail. A boundary perturbation analysis is used to derive easy‐to‐use formulas for a variety of molecule shapes in circular
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