ISSN:
0001-1541
Keywords:
Chemistry
;
Chemical Engineering
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
,
Process Engineering, Biotechnology, Nutrition Technology
Notes:
Monte 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 pores.
Additional Material:
15 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/aic.690350105
