Abstract:
Dynamic Models of Non-Reactive and Reactive Liquid Chromatography:
Derivation of Analytical and Numerical Solutions
Chromatography is an effective technique used in the analytical chemistry for separation,
identification and quantification of mixture components. Reactive chromatography is an
integrated process which combines chemical or biochemical reactions with the chromatographic
separation. These techniques have gained wide recognition in petrochemical, fine
chemical, pharmaceutical, bio-technical and food industries. This work is focused on the the
analysis of linear models of non-reactive and reactive liquid chromatography incorporating
both fully porous and the core-shell particles. The model equations incorporate axial dispersion,
external and intra particle pore diffusions, interfacial mass transfer, and irreversible
and reversible first order heterogeneous reactions. In most of the liquid chromatographic
operations, the sample volume is very small (i.e. in microliters) and diluted. Thus, the
current linear assumptions are valid. Semi-analytical solutions of the model equations are
derived by successively applying the Laplace transformation and eigen-decomposition technique.
To gain further confidence on the analytical results, a high resolution finite volume
scheme (HR-FVS) is implemented to numerically investigate the same model equations.
Analytical and numerical temporal moments of the elution profiles are presented. These
moments can be used to further analyze the solute transport behavior. Moreover, relationships
are derived among the essential kinetic parameters of different models considering
core-shell particles. Such particles are helpful for rapid and better separation of complex
mixtures with a reasonably low back pressure. Extensive case studies of practical interest
are carried out to measure the effects of different kinetics and reaction parameters on the
conversion and separation of sample components. The results obtained can be utilized to
optimize the process and to estimate model parameters from the experimental results.
