Numerical simulation of electrophoresis: The complete solution for three isotachophoretic systems

Abstract

Numerical integrations of the partial differential equations describing the time and spatial evolution of isotachophoresis were performed on three different systems, in one case involving reaction kinetics to investigate weak electrolytes.

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

“…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]).…”

“…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]). Because dissociationÀassociation reactions are fast compared with the mass transport [39,40], ion concentrations are constrained by a coupled set of mass action relations, namely the dissociation of water and the dissociationÀassociation equilibria of the components. Special versions of SIMUL [72][73][74] and GENTRANS [75] also feature secondary equilibria between analytes and buffer additives, which allow the performance of EKC simulations.…”

Dynamic computer simulations of electrophoresis: Three decades of active research

“…The first dynamic models predicting the behavior of strong and weak electrolyte systems were developed in the eighties by Bier et al . 1, 37, 38, Radi and Schumacher 39, 40, Roberts 41, 42 and Schafer‐Nielsen 43. Except for 39, 40, these models were applied to all basic electrophoretic modes, including IEF.…”

“…Such models calculate 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 such as protolysis and, if incorporated, also interaction of solutes with electrolyte additives or the column walls. Many dynamic models of various degrees of complexity have been described in the literature 1–4, 29–79. Furthermore, the construction of a 3‐D stochastic simulation model for CE in the presence of electroosmosis 80, for reactive separations in CE 81, 82 and for CEC separations in presence of electroosmosis and laminar flow 83 has been reported.…”

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

“…In 1984, Hirokawa [3] described a computer program for the simulation on ITP separation of fourteen lanthanoid metal ions using three electrolyte systems. Radi [4] in 1985 and Shimao [5,6] in 1986 advanced the numerical simulation for complex ITP systems (e.g., three systems and protein systems etc), revealing the behavior of ITP and counter ion components in the steady state of ITP. In 1992, Heinrich et al [7] developed a versatile model and computer program for the rapid optimization of ITP (as well as CZE and continuous flow electrophoresis) conditions, such as buffer, ionic strength, temperature, Joule heat, activity coefficients and concentration, etc.…”