title: Simulation of ordered packed beds in chromatography.
abstract: A computer simulation of chromatographic dispersion in an ordered packed bed of spheres is conducted utilizing a detailed fluid flow profile provided by the Lattice Boltzmann technique. The ordered configurations of simple cubic, body-centered cubic, and face-centered cubic are employed in these simulations. It is found that zone broadening is less for the fcc structure than the sc and bcc structures and less than a random packed bed analyzed in a previous study in the low flow velocity region used for experimental chromatography. The factors which contribute to the performance of the ordered pack beds are analyzed in detail and found to be dependent both on the nearest surface to surface distance and on the distribution of velocities found in the various packing geometries. The pressure drops of the four configurations are compared and contrasted with the pressure drop from monolithic columns.
authors.affiliation: Theoretical Separation Science Laboratory, Rohm and Haas Company, 727 Norristown Road, Box 0904, Spring House, PA 19477-0904, USA.
authors.forename: Mark R
authors.initials: MR
authors.lastname: Schure
authors.forename: Robert S
authors.initials: RS
authors.lastname: Maier
authors.forename: Daniel M
authors.initials: DM
authors.lastname: Kroll
authors.forename: H Ted
authors.initials: HT
authors.lastname: Davis
mesh_terms: D000465:Algorithms; D002845:Chromatography; D003198:Computer Simulation; D004058:Diffusion; D007700:Kinetics; D008863:Microspheres; D008956:Models, Chemical; D011312:Pressure