Computer simulation on a continuous moving chelation boundary in ethylenediaminetetraacetic acid-based sample...

This paper introduces a mathematic mode of moving chelation boundary (MCB) for computer simulation of a continuous EDTA-based sample sweeping in capillary electrophoresis (CE). Besides the equations of MCB used herein, the mode also includes electro-neutrality equation, constant current density, jump boundary condition of MCB, Kohlrausch' regulating function expressed in MCB formulation, product of water, ionic apparent mobility, ionic strength and conductivity of electrolyte as well as simple equilibrium reaction, etc. The simulation software is developed based on the mode. With the software the relevant simulation is carried out, and the corresponding experiments on a MCB are performed. The results on the simulation and experiments demonstrate that (1) the software can simulate a dynamic process, characteristic peak shape and relevant electrophoregram of a MCB; (2) the simulator can quantitatively compute velocities of MCB and complex boundary (CB), all of ionic concentrations (especially the concentration of complex) and sweeping efficiency; (3) these simulation results mentioned above are generally in accordance with the experiments. The simulation software holds evident significances for the study on a MCB and conditional optimization in such an EDTA-based sample sweeping of metal ion in CE.