Electrophoresis: Mathematical Modeling and Computer Simulation

Bier, M.; Palusinski, O.A.; Mosher, RA; Saville, D. A.

doi:10.1126/science.6828855

Cited by 244 publications

(200 citation statements)

References 18 publications

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“…Component fluxes are computed on the basis of electromigration, diffusion and convection (imposed flow and/or electroosmosis). The models are composed of a set of balance laws governing the transport of components in electrophoretic separations [1,37,38,40,41,43] and comprise a coupled set of non-linear partial differential equations describing the appropriate balance laws and algebraic equations describing chemical equilibria. The statement of conservation of charge includes a term for the diffusion current (for importance of diffusion current compare data of [133] with those of [134]).…”

Section: Model Features and Considerations For Running A Simulationmentioning

confidence: 99%

“…2). Before the availability of fast computers, this was the rule rather than the exception [1][2][3]. The 2.5 A/m 2 simulation predicts that there is insufficient pyridine and aniline present to produce ITP zones with plateau concentrations (panel A in Fig.…”

Section: Model Features and Considerations For Running A Simulationmentioning

confidence: 99%

“…This is illustrated here with ZE, ITP, IEF and EKC separation examples. The data shown were produced with GENTRANS, the simulator based on the work of Bier, Mosher, Thormann, Breadmore and coworkers [1,37,38,44,[49][50][51][52][53][54]75].…”

Section: Simulation Examplesmentioning

confidence: 99%

“…Commencing with a predefined distribution of all components along the column, dynamic simulation predicts the impact of a d.c. current flow on the component's distributions and the column properties. In addition to the dynamic models that provide complete sets of concentration, conductivity, pH and flow profiles as function of time and location [1][2][3][4], there are other electrophoretic computer models in use. These include the models for rapid assessment of buffer systems and analyte separability in capillary ZE [5][6][7][8][9][10][11] with comprehensive programs, which predict parameters of background electrolytes, system peaks and analytes, and are available through the internet (PeakMaster 5.1 and PeakMaster 5.2, http:// www.natur.cuni.cz/Gas [11]).…”

Section: Introductionmentioning

confidence: 99%

“…The transport of each component through the electrophoretic space as a result of electromigration, diffusion, imposed and/or electrically driven bulk flow, solution based chemical reactions and interaction of solutes with column walls is calculated. Many dynamic models of various degrees of complexity have been described in the literature [1][2][3][4]. A historical overview together with information on the availability of dynamic simulators is given elsewhere [29].…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Dynamic computer simulations of electrophoresis: A versatile research and teaching tool

et al. 2010

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Software is available, which simulates all basic electrophoretic systems, including moving boundary electrophoresis, zone electrophoresis, ITP, IEF and EKC, and their combinations under almost exactly the same conditions used in the laboratory. These dynamic models are based upon equations derived from the transport concepts such as electromigration, diffusion, electroosmosis and imposed hydrodynamic buffer flow that are applied to user-specified initial distributions of analytes and electrolytes. They are able to predict the evolution of electrolyte systems together with associated properties such as pH and conductivity profiles and are as such the most versatile tool to explore the fundamentals of electrokinetic separations and analyses. In addition to revealing the detailed mechanisms of fundamental phenomena that occur in electrophoretic separations, dynamic simulations are useful for educational purposes. This review includes a list of current high-resolution simulators, information on how a simulation is performed, simulation examples for zone electrophoresis, ITP, IEF and EKC and a comprehensive discussion of the applications and achievements.

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Section: Model Features and Considerations For Running A Simulationmentioning

confidence: 99%

Section: Model Features and Considerations For Running A Simulationmentioning

confidence: 99%

Section: Simulation Examplesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Dynamic computer simulations of electrophoresis: A versatile research and teaching tool

et al. 2010

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Capillary and Microchip Electrophoresis

Thormann

2012

Ullmann's Encyclopedia of Industrial Chemistry

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Simulation of electrophoretic separations: Effect of numerical and molecular diffusion on pH calculations in poorly buffered systems

Sounart

Baygents

2000

Electrophoresis

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A poorly buffered cationic isotachophoresis separation, first simulated by Reijenga and Kasica, has been revisited to demonstrate that an inconsistent description of solute and charge transport can lead to significant errors in the pH calculation. The separation is first simulated using a second-order finite difference scheme to show that omission of molecular diffusion from the charge balance results in a pH profile with spurious dips in the steady-state zone boundaries. The separation is also simulated using two first-order methods that employ numerical diffusion to stabilize solutions against spatiotemporal oscillations. Similar pH dips are generated by these first-order schemes, even when molecular diffusion is included in the charge balance, if numerical diffusion is not considered amongst the charge transport mechanisms. When numerical diffusion, inherent in the discretization of the component balances, is introduced to the charge balance, the spurious pH dips are eliminated. The results indicate that (i) pH dips originally reported by Reijenga and Kasicka are merely artifacts of their numerical model, and (ii) nonoscillatory numerical techniques, such as upwinding and flux limiters, should incorporate artificial transport mechanisms in the charge as well as the solute balances.

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Electrophoresis: Mathematical Modeling and Computer Simulation

Cited by 244 publications

References 18 publications

Dynamic computer simulations of electrophoresis: A versatile research and teaching tool

Dynamic computer simulations of electrophoresis: A versatile research and teaching tool

Capillary and Microchip Electrophoresis

Simulation of electrophoretic separations: Effect of numerical and molecular diffusion on pH calculations in poorly buffered systems

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