ELSIM version 3.0 by Leslaw K. Bieniasz (June 1996)
ELSIM is a User-Friendly Problem Solving Environment for the simulation of transient electrochemical techniques. The program runs on IBM compatible personal computers under MS DOS (including the DOS mode of the Windows 95 or IBM OS / 2 WARP operating systems). The user types in an electrochemical reaction mechanism and specifies parameter values. The built- in "reaction compiler" automatically generates the text of the corresponding mathematical governing equations, and comprehensively verifies the correctness of the reaction mechanisms. If necessary or desired, the user may also directly type in the text of the mathematical problem definition, using a conventional mathematical notation. In both cases the text of the equations serves as input data to the formula translator that automatically generates a solution algorithm and sets up the numerical problem.
The program solves:
(1) Integral equations for linear potential scan and cyclic voltammetry, for electrochemical kinetic systems in one space dimension (must be typed in directly). Choice of four solution methods.
(2) Governing equations independent of the space coordinates (sets of algebraic, ordinary differential or differential- algebraic equations) that arise for electrochemical kinetic systems characterized by the presence of interfacial species (localized at the electrodes) of variable concentrations, and possibly bulk species (distributed in the electrolyte) of constant concentrations. This permits i.a. the simulation of adsorption phenomena coupled with electrochemical reactions at the neglection of bulk transport, simulation of a class of oscillatory electrochemical systems, or modelling of thin-layer electrodes. Choice of two solution methods.
(3) Governing equations in one space dimension, that arise for electrochemical kinetic systems characterized by the presence of bulk species of variable concentrations and possibly interfacial species of variable concentrations (sets of partial differential equations for the concentrations of bulk species, optionally coupled with the sets of algebraic, ordinary differential or algebraic-differential equations for the concentrations of interfacial species). This permits i.a. the simulation of homogeneous reaction-diffusion problems like many frequently discussed CE, EC, ECE, etc. models, as well as adsorption phenomena coupled with electrochemical and homogeneous reactions, in the presence of bulk transport. Choice of eight solution methods.
Virtually any kind of controlled-potential or controlled- current transients can be simulated, because the actual transient waveforms and other peculiarities of the electrochemical problems can be freely defined by the users, by entering appropriate mathematical formulae.
A number of tools serving for the post-processing of simulation results and their comparisons with experimental data (e.g. fitting of the simulated transient curves) is integrated with ELSIM. The program involves a comprehensive context-sensitive hypertext "help" facility, and is accompanied by a set of 68 example reaction mechanisms, a set of 70 demonstration examples of mathematical problem definitions, and a manual (over 250 pages). Extensive error diagnostics are present throughout the program.
In addition to the above, ELSIM has been widely described in regular scientific
papers, so that the
program users have access to many details regarding the algorithms implemented
in the program, properties of the simulation methods, various physico-chemical
assumptions accepted, and other technical aspects.
!!!!!! CAUTION !!!!!!!
There exist other ELSIM programs:
One was written in Germany, and designed for electric circuit simulation.
Another one was written by L. A. Tarca
(see: Modelisation du comportement cinetique de reactions electrochimiques, DEA Electrochimie, INPG, 2000)
The above ELSIM programs, and the present ELSIM, are entirely different programs, and should not be confused.
How to order:
Please contact the author by ordinary or electronic mail.
Last Updated: 1 st September 2013.