High-performance liquid chromatographic 2D-reversible reactive modelling: Analytical and numerical study

Area of Science:

• Analytical Chemistry
• Chemical Engineering
• Chromatography

Background:

• High-performance liquid chromatography (HPLC) is crucial for separating complex mixtures.
• Modeling mass transport and reaction dynamics in chromatographic systems is essential for optimizing separation efficiency.
• Cylindrical geometry and radial effects in HPLC require advanced modeling techniques.

Purpose of the Study:

• To develop and analyze a two-dimensional equilibrium-dispersive (2D-EDM) chromatographic model for systems with reversible reactions.
• To investigate the influence of various parameters, including flow velocity, axial dispersion, and boundary conditions, on solute transport.
• To provide mechanistic insights into mass transport and reaction dynamics in concentric chromatographic systems.

Main Methods:

• Formulation of a 2D-EDM model for a cylindrical HPLC system with inner and outer phases.
• Application of Laplace and Hankel transforms to solve the governing equations for transient transport behavior.
• Validation of analytical solutions using numerical Laplace inversion techniques.

Main Results:

• The model accurately describes the behavior of two solutes (ω1 and ω2) undergoing reversible reactions.
• Solute concentration profiles are highly sensitive to flow velocity, axial dispersion, radial position, Peclet number, and boundary conditions.
• Dirichlet boundary conditions lead to faster elution, while Neumann boundary conditions result in enhanced solute retention.

Conclusions:

• The developed framework offers a rigorous approach for understanding and optimizing separation processes in advanced HPLC.
• The study highlights the critical role of hydrodynamic and boundary parameters in controlling elution dynamics.
• The findings provide valuable tools for enhancing separation efficiency and operational performance in chromatographic applications.