Vm. Volgin et Ad. Davydov, Numerical modeling of non-steady-state ion transfer in electrochemical systems with allowance for migration, RUSS J ELEC, 37(11), 2001, pp. 1197-1205
Numerical methods that are used for modeling non-steady-state ion transfer
in electrochemical systems and account for the diffusion, migration, convec
tion, and homogeneous chemical reactions are analyzed. It is shown that the
violation of the electroneutrality condition (ENC) in the process of numer
ical solution is due to the difference equations being inconsistent with th
e initial differential equations. Difference schemes for numerical calculat
ion of transfer processes, which make it possible to split a set of coupled
equations, are designed and conditions for their stability are determined.
The explicit difference scheme is self-consistent, i.e. it ensures that EN
C is rigorously met. In the implicit difference scheme, ENC is probably vio
lated when splitting the set of equations. To restore electroneutrality of
the medium, it is proposed to use a physically substantiated analytical rel
ation for the space charge relaxation under the action of a strong electric
field.