Isoelectric focusing of a dimerizing solute in rapid chemical equilibrium: comparison of simulation procedures

The approach to isoelectric focusing equilibrium of a rapidly dimerizing solute was simulated by two different computing procedures: a stationary-grid model developed by Cann and Stimpson and a distorted-grid technique derived from the method of Cox. The results given by the two models were virtually identical at all times during the approach to equilibrium. Of the two procedures, the distorted-grid method has an advantage in computing time, while the stationary-grid model is applicable to a broader range of transport experiments. The effect on the focusing experiment of varying the electric field was examined by distorted-grid simulations. When the field was increased, the equilibrium distribution sharpened somewhat and the peak of the concentration profile shifted toward the isoelectric position of the dimer. The rate of approach to equilibrium was approximately proportional to the field strength.