Modelling CCC Using an Eluting Countercurrent Distribution Model

Abstract

As countercurrent chromatography (CCC) is becoming an established method in chromatography for scaling from analytical CCC in the laboratory to full process scale in the industrial manufacture of products, it is becoming increasingly important to model the process and to be able to predict coil=column scale-up parameters for a given process. This paper offers a method of modelling CCC on the basis of an eluting countercurrent distribution (CCD) model. The model confirms that peak width in CCC varies in proportion to the square root of the length of the column, establishes a formula predicting peak width in terms of retention factor and retention time, and provides a method for determining the efficiency of a given CCC instrument. This allows, for the first time, the mixing efficiency of different CCC approaches and=or devices to be compared and perhaps, more importantly, predictions to be made that are outside the current operating parameters of existing CCC instrumentation. This will greatly assist in the design of new equipment, particularly in scale-up, and will also help users optimize the results from their CCC instruments.

A novel approach to modelling counter-current chromatography

“…Another significant approach reported in the literature was adapting the counter-current distribution theory [11]. In this model, the CCC column was modelled using an array of positions representing a chain of test tubes in one dimension and mixing, settling, and transfer activities in the other.…”

Countercurrent chromatography in analytical chemistry (IUPAC Technical Report)

“…The best situation is to have both kinds of CCC column to cover all possible cases. Studies are going on to develop large-scale CCC centrifuges based on both types being able to produce significant mass of purified material (preparative CCC) [13][14][15]. Such centrifuges can be used to produce standard reference materials for analytical purposes and to purify analytical reagents.…”

Facilitating insight into a simulation model using visualization and dynamic model previews

“…The dynamic CCC model [7,8] describes the process of mixing and settling of a liquid or analyte in order to separate it into its component parts. The distribution of components is normally displayed as a line graph called a Chromatogram.…”

“…To the authors' knowledge the concept of previews has not yet been applied to simulation modeling. This paper focuses on the case of a counter-current chromatography (CCC) model [7,8]. The target users of this model expressed a desire to explore parameter-performance relationships in real-time.…”