Mathematical Modeling and Scale-up of Liquid Chromatography

Abstract

© Springer-Verlag Berlin Heidelberg 1995 Softcover reprin to the hardcover 1St edition 1995The use of general descriptive names, registered names, trademarks, etc. in this publication does not imply, even in the absence of a specific statement, that such names are exempt from the relevant protective laws and regulations and therefore free for general use. PrefaceLiquid chromatography is no longer limited to chemical analysis. It has become an indispensable tool for the preparativeand large-scale purifications of proteins and other fine chemicals. So far, the scale-up of liquid chromatography relies mostly on trial and error and a few scaling rules that are more of a rule-of-thumb nature.This book provides numerical solutions to a series of general multicomponent rate models for liquid chromatography. The models consider dispersion, interfacial film mass transfer, intra particle diffusion, and nonlinear multicomponent isotherm, or the second order kinetics. The models can be used to simulate various chromatographic operations. They provide more realistic descriptions of preparative-and large-scale liquid chromatography than the equilibrium theory and plate models because various mass transfer mechanisms are included.The applications of the Fortran 77 codes for the models are explained. Parameter estimation for the models is discussed. The codes should be helpful in both the understanding of the dynamics of liquid chromatography and its scale-up. The codes are available to readers upon request by a letter, or preferably an electronic mail (to guting@ent.ohiou.edu).

Elution relationships to model affinity chromatography using a general rate model

“…The model studied in this work, presented by Gu (1995) and formulated for affinity chromatography in Sandoval et al (2010), consists of a set of two partial differential equations that accounts for the mass transfer of the components (proteins and modulator) in the mobile phase along the column and in the interior of the matrix particles. These sets of equations are coupled together by a set of ordinary differential equations that describe the adsorption kinetics of the components to the matrix.…”

Quantifying Process Tradeoffs in the Operation of Chromatographic Sequences

“…Mathematical Models. The general rate model developed by Gu and co-workers (15)(16)(17)(18) was chosen to provide the chromatographic data to be studied. This model has been encoded into a software package called Chromulator (Athens, Ohio, USA).…”

“…Chromulator version 2.0 consists of five individual simulating models that enable the simulation of different chromatographic systems. Further details of the general rate model and Chromulator can be found in the literature by Gu et al (15)(16)(17)(18)(19). The inputs required by the models will be outlined in the following section.…”

Mathematical Modelling of Non‐Linear Solvent‐Gradient Simulated Moving Bed Chromatographic Separation Processes

“…The algebraic Equations (1 1) to (13) and (15) can be used to eliminate the number of unknowns from the ODEs of Equations (10) and (14). Then the obtained complex ODEs system is integrated simultaneously by Gear's stiff method.…”