Numerical simulation for capillary electrophoresis: I. Development of a simulation program with high numerical stability

• Published in: Journal of Chromatography A Vol. 802; no. 1; pp. 49 - 57
• Main Authors: Ikuta, Natsuki, Hirokawa, Takeshi
• Format: Journal Article Conference Proceeding
• Language: English
• Published: Amsterdam Elsevier B.V 03-04-1998; Elsevier
• Subjects: Analytical chemistry; Chemistry; Chromatographic methods and physical methods associated with chromatography; Exact sciences and technology; Other chromatographic methods; Computer simulation; Mathematical modelling; Peak resolution; Ultraviolet detector; Indirect method; Capillary electrophoresis; Theoretical study; Numerical simulation; Mathematical model; Concentration distribution
• ISSN: 0021-9673
• DOI: 10.1016/S0021-9673(97)01284-3

A computer program was developed for the simulations of capillary electrophoresis on the basis of unsteady partial differential equations. Since a new algorithm (shifted upwinding approximation) was used to suppress numerical divergence and oscillation, the program succeeded in generating only physically meaningful peaks at the cost of slight overestimation of ionic diffusion. The mathematical model and equations used in the program were described in detail, and simulation performance was compared among the previously reported programs, confirming the numerical stability of our program. As an application example, a system peak in indirect UV detection was simulated.