Discontinuous Galerkin scheme for solving non-isothermal and non-equilibrium model of liquid chromatography

Zafar, Shireen; Perveen, Sadia; Qamar, Shamsul

doi:10.1080/10826076.2020.1867164

Cited by 4 publications

(2 citation statements)

References 66 publications

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“…The research reported in ref examined the impact of temperature and volume flow rate on the chromatographic analysis of core compounds utilizing a reversed-phase column in HPLC. Various studies on non-isothermal chromatography are available in the literature that elucidate the impact of thermal variations on aspects like elution profile retention characteristics, concentration fluctuations, properties of packing materials, volumes of injected pulses, and ion-exchange chromatography processes. − …”

Section: Introductionmentioning

confidence: 99%

Theoretical Investigation of Dual-Mode Gradient Elution Chromatography Considering Simultaneous Variations in the Column Temperature and Solvent Composition

Bashir,

Perveen,

Bilal

et al. 2024

Ind. Eng. Chem. Res.

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This article presents the theory of dual-mode gradient elution chromatography considering simultaneous spatial and temporal changes in the column temperature and mobile phase composition. In this technique, both solvent and temperature gradients propagate independently along the axial coordinate of the chromatographic column. The mathematical model of the underlying process contains nonlinear convection-dominated partial differential equations for mass, volume fraction of the solvent, and energy, coupled with algebraic or differential equations. The linear solvent strength retention model and the modified van't Hoff retention behavior are utilized for expressing coefficients of Henry's, nonlinearity, axial dispersion, and heat conductivity as functions of temperature and solvent composition. An extended high-resolution semidiscrete finite volume method is utilized for the numerical approximation of model equations. Numerous case studies have been conducted to assess the column performance for a variety of operating conditions. The benefits of dual-mode gradient elution, influencing the propagation speeds of concentration profiles, are thoroughly explored compared to that of isocratic operation. The results show a significant reduction in the retention time and a better performance of the column. Outcomes of this study will be useful for optimizing the model parameters and for further improving the process performance.

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Section: Introductionmentioning

confidence: 99%

Theoretical Investigation of Dual-Mode Gradient Elution Chromatography Considering Simultaneous Variations in the Column Temperature and Solvent Composition

Bashir,

Perveen,

Bilal

et al. 2024

Ind. Eng. Chem. Res.

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“…HTLC separations for thousands of column volumes can be performed using newly developed stationary phases that are thermally more stable than traditional bonded silica. Commercial column heaters are now available that allow operation up to 200 °C with mobile phase preheating, reducing the negative effects of thermal inconsistency. , Nonisothermal chromatography has been studied extensively in the literature to illustrate thermal effects on elution profile retention behaviors, concentration variations, packing materials, the injected pulse volumes, and also on the ion-exchange chromatography. − …”

Section: Introductionmentioning

confidence: 99%

Theoretical Analysis of a Nonequilibrium Transport Model of Two-Dimensional Nonisothermal Reactive Chromatography Accounting for Bi-Langmuir Isotherm

et al. 2023

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The current study investigates a nonequilibrium and nonlinear two-dimensional lumped kinetic transport model of nonisothermal reactive liquid chromatography, considering the Bi-Langmuir adsorption isotherm, heterogeneous reaction rates, radial and axial concentration variations, and the adsorption and reaction enthalpies. The mathematical models of packed bed chromatographic processes are expressed by a highly nonlinear system of coupled partial differential algebraic equations connecting the phenomena of convection, diffusion, and reaction, for mass and energy balance, the differential algebraic equations for mass balance in the solid phase, and the algebraical expressions for the adsorption isotherms and for the reaction rates. The nonlinearity of the reaction term and the adsorption isotherm preclude the derivation of an analytical solution for the model equations. For this reason, a semidiscrete, high-resolution, finite-volume technique is extended and employed in this study to obtain the numerical solution. Several consistency checks are performed to evaluate the model predictions and analyze the precision of the proposed numerical scheme. A number of heterogeneously catalyzed stoichiometric reactions are numerically simulated to examine reactor performance under the influence of temperature and Bi-Langmuir adsorption dynamics, the level of coupling between mass and energy fronts, and to study the effects of various critical parameters. The numerical results obtained are beneficial for optimal predictive control and process optimization during production and the development of methods for systematic design and fault detection of nonisothermal liquid chromatographic reactors, and hence constitute the first step to provide deeper insight into the overall evaluation of integrated reaction and separation processes.

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Discontinuous Galerkin finite element scheme for solving non-linear lumped kinetic model of non-isothermal reactive liquid chromatography

Zafar

Perveen²,

Qamar³

2023

Korean J. Chem. Eng.

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Discontinuous Galerkin scheme for solving non-isothermal and non-equilibrium model of liquid chromatography

Cited by 4 publications

References 66 publications

Theoretical Investigation of Dual-Mode Gradient Elution Chromatography Considering Simultaneous Variations in the Column Temperature and Solvent Composition

Theoretical Investigation of Dual-Mode Gradient Elution Chromatography Considering Simultaneous Variations in the Column Temperature and Solvent Composition

Theoretical Analysis of a Nonequilibrium Transport Model of Two-Dimensional Nonisothermal Reactive Chromatography Accounting for Bi-Langmuir Isotherm

Discontinuous Galerkin finite element scheme for solving non-linear lumped kinetic model of non-isothermal reactive liquid chromatography

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