Abstract
A computer simulation of isotachophoresis is described for the purpose of determining physico-chemical constants and separation optimization. On the basis of the mobilities, dissociation constants and stability constants of the separands, the effective mobilities and the isotachopherogram in the steady state condition can be exactly simulated at a given electrolyte condition. When some of the necessary constants are unknown, they can be evaluated by means of a least-squares method on the basis of the observed qualitative indices. Since the sample amount necessary for electrophoretic separation is very small and good separability from coexisting substances is expected, this may be one of the useful methods for determining the physico-chemical constants. When the necessary constants are known, the optimum separation condition can be obtained by an iterative simulation that varies the electrolyte condition, such as the electrolyte pH, the solvent (water and methanol) and the concentration of the complex-forming agents to give the largest effective mobility differences among the separands.
