KISSA© — software for simulation of electrochemical reaction mechanisms of any complexity



[1-5] is designed for automatic simulation of electrochemical reaction mechanisms of any complexity involving  any number of reactants and elementary (electro)chemical steps yielding following computational results:

  • electrochemical currents (CV, LSV, chronoamperometry, double potential step, etc.)
  • concentration distributions of all species
  • surface coverage of adsorbed species [5, 6]
  • intensity of electrochemiluminescence (ECL) emission

Physicochemical Models
solved by KISSA© may include

  • heterogeneous electron transfer (ET) steps
  • homogeneous chemical reactions of any order (including those leading to ECL)
  • kinetically controlled adsorption-desorption [5, 6]
  • reactions in the adsorbed state and between adsorbed and solution species [5, 6]
  • natural convection limiting the extent of the diffusion layer [4]
  • system pre‐equilibration that takes into account finite duration of the pre‐equilibration period and finite reaction rates [4]; this yields realistic and consistent initial conditions at the beginning of the voltammetric scan unlike thermodynamic pre‐equilibration throughout the solution volume as implemented in DigiSim®

The Computational Strategy
of KISSA© includes

  • a novel algorithm for automatic adaptation of the computational grid using a kinetic criterion for cases of fast homogeneous kinetics (and possibly travelling reaction fronts) [1‐6]
  • use of conformal or quasi‐conformal coordinate transforms for adequate tracking of diffusional propagation and resolution of edge effects at microelectrodes [3, 7, 8]

Program Interface

  • convenient entry of a reaction mechanism and parameters
  • graphical output of computed currents, concentration distributions, surface coverages and ECL intensity
  • export of simulation results into a file
  • import of experimental electrochemical currents for comparison with simulation
  • printing of all graphics

There are two different programs:

  • KISSA-1D for simulating one-dimensional problems at planar, (hemi)sphere or (hemi)cylinder electrode geometries
  • KISSA-2D for simulating two-dimensional problems at disk or band electrode geometries


Please address any queries to:

info email