Stump-like mathematical model and computer simulation on dynamic separation of capillary zone electrophoresis with different sample injections

The transport of components in liquid media under the influence of an applied electric field can be described with the continuity equation. It represents a nonlinear conservation law that is based upon the balance laws of continuous transport processes and can be solved in time and space numerically. This procedure is referred to as dynamic computer simulation. Since its inception four decades ago, the state of dynamic computer simulation software and its use has progressed significantly. Dynamic models are the most versatile tools to explore the fundamentals of electrokinetic separations and provide insights into the behavior of buffer systems and sample components of all electrophoretic separation methods, including moving boundary electrophoresis, CZE, CGE, ITP, IEF, EKC, ACE, and CEC. This article is a continuation of previous reviews (Electrophoresis 2009, 30, S16-S26 and Electrophoresis 2010, 31, 726-754) and summarizes the progress and achievements made during the 2010 to 2020 time period in which some of the existing dynamic simulators were extended and new simulation packages were developed. This review presents the basics and extensions of the three most used one-dimensional simulators, provides a survey of new one-dimensional simulators, outlines an overview of multi-dimensional models, and mentions models that were briefly reported in the literature. A comprehensive discussion of simulation applications and achievements of the 2010 to 2020 time period is also included.

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“…Finally, Zhang et al. developed a stump‐like mathematical model for computer simulation of CZE [ 79 ].…”

Section: Dynamic Simulators For Electrokinetic Separationsmentioning

confidence: 99%

Dynamic computer simulations of electrophoresis: 2010–2020

Thormann

Mosher²

2021

Electrophoresis

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“…The situation further complicates if the conditions of the linearized model are not satisfied. In such cases some semiempirical approaches succeeded in finding a suitable peak‐shape function .…”

Section: Introductionmentioning

confidence: 99%

Determination of the correct migration time and other parameters of the Haarhoff–van der Linde function from the peak geometry characteristics

et al. 2015

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For Gaussian peaks, the migration time of the analyte results as the position of the top of the peak and the zone variance is proportional to the peak width. Similar relations have not yet been derived for the Haarhoff-van der Linde (HVL) function, which appears as a fundamental peak-shape function in electrophoresis. We derive the relations between the geometrical measures of the HVL-shaped peak, that is the position of its maximum, its width and a measure of its asymmetry, and the respective parameters a1, a2, and a3, of the corresponding HVL function. Under the condition of the HVL-shaped peak, the a1 parameter reflects the true migration time of the analyte, which may differ from the peak top position significantly. Our procedure allows us to express the parameters without the need of any external data processing (nonlinear regression). We demonstrate our approach on simulated peaks and on experimental data integrated by the ChemStation software (delivered with the CE instrumentation by Agilent Technologies). A significant improvement is achieved reading the migration time of the experimental and simulated peaks, which draws the error of the HVL-shaped peak migration time evaluation down to the resolution of the data sampling rate.

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“…25 Recently, a sandwich-like mathematical model was developed for computer simulation of CZE. 26 Bercovici and Lele et al, in 2009, developed a simulation tool for electrophoretic preconcentration and separation processes by solving the one-dimensional transient advection-diffusion equations, and they proposed a new approach for the discretization of the equations to attain 75-fold reduction in computational time. 27 Kler, Berli, and Guarnieri 28 carried out relative numerical calculations considering electrical phenomena, uid dynamics, mass transport, and chemical reactions by using PETScFEM which utilized high performance parallel computing and signicantly improved the numerical efficiency in comparison with typical commercial soware for multiphysics.…”

Section: Introductionmentioning

confidence: 99%

Mathematical model and dynamic computer simulation on free flow zone electrophoresis

Zhang

Yan

et al. 2013

Analyst

Self Cite

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In this paper, a mathematical model was proposed for calculating physico-chemical parameters and simulating the separation process of solutes in free-flow zone electrophoresis (FFZE). Computer software was developed and implemented in a Delphi XE2 environment based on the model, which comprises zone electrophoresis, electrolyte solution, hydrodynamics and diffusion as well as conversion equations. The simulation results reveal that (i) the software is capable of simulating a dynamic process of FFZE properly; (ii) the software can simulate operation parameters (e.g., electric field, flow rate and pH value) for experimental optimization; (iii) the simulator is able to display the final electropherogram of numerous analytes in FFZE; and (iv) the electropherogram of FFZE can be automatically converted to that of capillary zone electrophoresis. In order to verify the rationality and reliability of this software, the relevant experiments were conducted and further compared with the simulations. The comparisons demonstrated the high agreement between the simulations and the experiments as well as those cited from the relevant references. In addition, effective mobility, diffusion coefficient and concentration of solutes can be conveniently gained via the software. The developed mathematical model and designed software have evident significance for the optimization of experimental conditions and basic physico-chemical parameters in FFZE.

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Stump-like mathematical model and computer simulation on dynamic separation of capillary zone electrophoresis with different sample injections

Cited by 5 publications

References 39 publications

Dynamic computer simulations of electrophoresis: 2010–2020

Dynamic computer simulations of electrophoresis: 2010–2020

Determination of the correct migration time and other parameters of the Haarhoff–van der Linde function from the peak geometry characteristics

Mathematical model and dynamic computer simulation on free flow zone electrophoresis

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