Optimization of background electrolytes for capillary electrophoresis: II. Computer simulation and comparison with experiments

Abstract

A mathematical and computational model described in the previous paper (Gas, B., Coufal, P., Jaros, M., Muzikár, J., Jelínek, L., J. Chromatogr. A 2001, 905, 269-279) is adapted, algorithmized, and a computer program PeakMaster having a status of freeware (http://natur.cuni.cz/ approximately gas) is introduced. The model enables optimization of background electrolyte (BGE) systems for capillary zone electrophoresis. The model allows putting to use uni- or di- or trivalent electrolytes and allows also for modeling highly acidic or alkaline BGEs. It takes into account the dependence of ionic mobilities and dissociation of weak electrolytes on the ionic strength. The model calculates the effective mobility of analytes and predicts parameters of the system that are experimentally available, such as the transfer ratio, which is a measure of the sensitivity in the indirect UV detection or the molar conductivity detection response, which expresses the sensitivity of the conductivity detection. Further, the model enables evaluation of a tendency of the analyte to undergo electromigration dispersion or peak broadening. The suitability of the model is verified by comparison of the predicted results with experiments, even under conditions that are far from ideal (under extreme pH and a high ionic strength).

Prediction of the zeta potentials and ionic descriptors of a silica hydride stationary phase with mobile phases of different pH and ionic strength

“…(3). Since these two equations are mutually dependent, an iterative algorithm was employed for this purpose [33]. The dielectric constant not only affects the zeta potential of a particle, as apparent from Eq.…”

“…The ionic strength and zeta potential values were calculated using Eq. (2) and (4), after correction of K W [31] and pK a [30] with the ionic strength correction algorithm as described by Jaros et al [33]. [ ( F i g .…”

Analysis on micro-mixing enhancement through a constriction under time periodic electroosmotic flow

“…The mobility of fluorescein ion is known to vary with various factors such as temperature, pH, ionic strength, and buffer composition Whang and Yeung 1992;Persat et al 2009). Although mathematical models (Jaroš et al 2002;Bahga et al 2010) are available to predict the mobility of ion, there are quantitative discrepancies between the mobility value measured experimentally with the value predicted by the models (Bahga et al 2010). An experimentally measured mobility value of fluorescein ion under the experimental conditions of this study (buffer solution of 1 mM NaHCO 3 with pH = 7.2) is not available in the literature.…”

Recent applications of capillary electrophoresis–mass spectrometry (CE–MS): CE performing functions beyond separation

“…Peakmaster is primarily used in the CZE mode to handle parameters such as the electrolyte conductivity, buffer capacity, ionic strength and eigenmobility. It is also useful in simulating electropherograms of analytes with a userfriendly output [156,159]. On the other hand, Simul 5 is applicable in various modes including CZE, CITP, CIEF and micelle-based sample stacking for simulating ion movement [157,160].…”