Numerical simulation of a liquid chromatographic reactor using an isothermal nonlinear equilibrium model of gradient elution considering Bi-Langmuir Isotherm

Authors

  • Abdulaziz Garba Ahmad Department of Applied Mathematics, Federal University of Technology, Babura, Nigeria https://orcid.org/0000-0002-2999-7751
  • Haris Jaafar Bello Department of Applied Biology, Federal University of Technology, Babura, Nigeria
  • Uche David Ugochukwu Department of Mathematics Programme, National Mathematical Centre, Abuja, Nigeria

DOI:

https://doi.org/10.64497/jssci.110

Abstract

In this work, a nonlinear reactive equilibrium dispersive model (REDM) of liquid chromatography is developed to investigate the conveyance of a multi-component mixture in a single column using gradient elution, considering nonlinear adsorption thermodynamics. A generalized and standard Bi-Langmuir-type adsorption equilibrium isotherm is considered to analyze the constituted model equations using Danckwerts boundary conditions. The developed model consists of a system of convection-dominated partial differential equations for mass concentrations in the liquid phase coupled with differential and algebraic equations in the solid phase. A scheme of high-resolution finite volume method (HR-FVM) using an appropriate flux-limiter was employed to solve the model equations numerically. This suggested method deals with the integral form of conservation laws, which avoids spurious oscillations, reduces numerical dissipation, and provides higher-order accuracy on the coarser grids. Further, the detailed analysis of the benefits of gradient elution over isocratic operation is conducted for a reversible reaction of type. Moreover, the influences of various parameters were examined on the behavior of elution profiles. The configured numerical algorithm gives an effective mechanism for analyzing retention behavior, peak shapes, and the effect of mass transfer kinetics on the elution profiles.

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References

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Published

2025-09-14

How to Cite

Ahmad, A. G., Bello, H. J., & Ugochukwu, U. D. (2025). Numerical simulation of a liquid chromatographic reactor using an isothermal nonlinear equilibrium model of gradient elution considering Bi-Langmuir Isotherm. Journal of Statistical Sciences and Computational Intelligence, 1(3), 227–240. https://doi.org/10.64497/jssci.110
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