Industrial & Engineering Chemistry Research, Vol.33, No.5, 1391-1396, 1994
Partition-Coefficients for Distribution of Rigid Non-Axisymmetrical Solutes Between Bulk Solution and Porous Phases - Toward Shape-Selective Separations with Controlled-Pore Materials
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.