Electrochemistry public domain information on the Internet

Revision date: October 16, 2014.

This compilation contains listings of freely available (public domain) information on electrochemistry, such as Bibliographies, Software ("freeware" only), Physical/chemical data, etc. The files may be available on the WWW or through FTP.

Additions and corrections are welcome, send them to: nagyz@email.unc.edu.

INDEX

1. EIS Spectrum Analyser (analysis and simulation of impedance spectra)

2. Software package: Chemical reaction network toolbox

3. Bibliographic list of review chapters relating to electrochemistry

4. Cold nuclear fusion bibliography

5. Electrochemistry Encyclpedia

6. Graduate school directory

7. SOAS: sofware to analyse voltammetric data

8. Electrochemical simulations package (ESP)

9. List of electrochemical books

10. Publications of the Electrochemical Society, Inc. (ECS)

11. List of electrochemistry proceedings volumes

12. Waitfor v1.3: Cooperatively runs EG&G programs

13. Historic publications in electrochemistry available on the Internet

14. Bibliography of capacitors

15. CurTiPot: an all-in-one freeware for pH and acid-base equilibrium calculations and for simulation and analysis of Potentiometric Titration Curves

16. AC impedance/immittance spectroscopy fitting program (LEVM)

17.

18. Electrochemistry Dictionary

19.

20. Electrochemistry books published before 1950

21. ELSIM: Program for the simulation of electrochemical transient methods

22. EChem++: a problem solving environment for electrochemistry

23. Tto®: electrochemical data processing program

24. ELECHEM and FARADAY: programs to calculate various electrodeposition parameters

1. EIS Spectrum Analyser (analysis and simulation of impedance spectra)

EIS Spectrum Analyser is a standalone program for analysis and simulation of impedance spectra. The analyser routine is based on algorithms of the PDEIS spectrometer. In the original (potentiodynamic) version the equivalent circuit analysis is applied on a 3D spectrum and gives dependences of the ac response components on electrode potential. This standalone program has been adapted to solve a wide range of tasks in the common (stationary) impedance spectroscopy. In addition to data fitting to equivalent circuits with resistors, capacitors, inductors, constant phase, Warburg (3 types), user-defined and Gerischer elements, the EIS Spectrum Analyser provides various tests for data consistency and quality of fit. It has also a built-in impedance spectra simulation routine, tools for impedance data processing (subtraction of circuit elements and subcircuits, normalisation for electrode surface area) and plotting in various formats. The program is free for noncommercial use.

Available at: http://www.abc.chemistry.bsu.by/vi/analyser/

This freeware is courtesy of Alexander S. Bondarenko and Genady A. Ragoisha. Physico-Chemical Research Institute, Belarusian State University. With problems/questions contact: eisanalyser@gmail.com.

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2. Software package: Chemical reaction network toolbox (CRNT), Version 1.02

The Chemical Reaction Network Toolbox, Version 2.2 is now available at the site: http://crnt.engineering.osu.edu/CRNTWin/

There is no charge for the program. (It was developed as a suite of tools in connection with research sponsored in part by the United States National Science Foundation and the Petroleum Research Fund.)

The Chemical Reaction Network Toolbox (CRNT) is a program for IBM- compatible personal computers. It does many, many things. People who use the program tell me that it's VERY easy to use and that they like it a lot. CRNT should be of interest to chemists, chemical engineers and mathemati- cians at all levels of expertise (ranging from undergraduates to those engaged in very advanced research). I know that CRNT will provide chemical engineering students with lots of help with their kinetics homework!

The program consists of two parts, ChemLab and Network Analyst, that "talk to each other". ChemLab is the part of CRNT that will probably be of interest to most users, so I'll describe that first.

ChemLab is essentially a simulation environment. In response to a user-specified network of chemical reactions (and a user-specified assignment of rate constants), ChemLab will generate the appropriate (isothermal mass action) system of ordinary differential equations governing the species concentrations. (These differential equations will generally be nonlinear and can be very complex.) In response to user-specified initial conditions, ChemLab will solve the differential equations and display the results in a variety of numerical and graphical formats. In particular, ChemLab will plot species concentrations vs. time and will draw two- and three-dimensional composition trajectories. ChemLab will also draw several trajectories simultaneously so that you can see two- and three-dimensional phase portraits.

Network Analyst, on the other hand, is somewhat more advanced. It implements certain results in chemical reaction network theory. Chemical reaction network theory deals with the relationship between reaction net- work structure and qualitative properties of the corresponding differential equations. For example, in response to a user-specified reaction network, Network Analyst will try to determine if there can be rate constants such that the resulting differential equations admit composition oscillations, an unstable steady state, multiple steady states, a degenerate steady state (i.e., one with a zero eigenvalue), and so on. When the Network Analyst determines that the answer is NO, it will tell you so. On the other hand, if Network Analyst determines, for example, that a reaction network has the capacity for multiple steady states, it will exhibit a sample set of rate constants along with a pair of steady states consistent with them. (The rate constants and the steady states can be exported to ChemLab for further study.) It should be mentioned in particular that Network Analyst provides powerful tools for mechanism discrimination in heterogeneous catalysis

CRNT comes with an on-screen tutorial and a help system that get you up and running pretty quickly. (Or so I'm told.) The tutorial was written primarily with chemical engineers and chemists in mind, but there's an appendix for mathematicians who want to understand how the differential equations come about. Again, ChemLab is probably the part of CRNT that will be of interest to most users, so it's probably best to concentrate on that first.

There are two files you'll want to retrieve via FTP: The first, CRNTPACK.TXT, is a text file that explains how to use the main file, CRNTPACK.EXE. (CRNTPACK.EXE is a compressed, self-extracting file that "unpacks" all the files that CRNT need to run properly.) Before retrieving CRNTPACK.TXT via FTP, the FTP mode should be ASCII (usually the default). Just before retrieving CRNTPACK.EXE, you should change the FTP mode to BINARY. This is done simply by entering BINARY at the FTP prompt. Once the unpacking is finished, enter CRNT at the DOS prompt, and you'll be up and running. On your first time out, you should select "Hello, New User!" from the main menu. Have fun.

This freeware is courtesy of Martin Feinberg, Department of Chemical and Biomolecular Engineering, Ohio State University, Columbus, OH 43210. With problems/questions contact: feinberg.14@osu.edu.

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3. Bibliographic list of review chapters relating to electrochemistry

This compilation of review chapters on electrochemical science, engineering, and technology is collected from multi-author advances/review books published in English since 1950. Contributions from selected review journals are also included. In all probability, these review chapters (and their reference lists) contain all major advances made in electrochemistry during the last few decades. Hopefully, this listing will provide a useful information source for students and research workers of electrochemistry. The file contains more than 5,000 chapters. Search capabilities also exist.

This compilation is available here at ESTIR. (http://knowledge.electrochem.org/estir/chap.htm).

This bibliographic listing is courtesy of Zoltan Nagy, Department of Chemistry, The University of North Carolina at Chapel Hill. With problems/questions contact: nagyz@email.unc.edu.

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4. Cold nuclear fusion bibliography

This site features a library of papers on LENR, Low Energy Nuclear Reactions, also known as Cold Fusion. (CANR, Chemically Assisted Nuclear Reactions is another term for this phenomenon.) The library includes more than 1,000 original scientific papers reprinted with permission from the authors and publishers. The papers are linked to a bibliography of over 3,500 journal papers, news articles and books about LENR. This document contains a tally of cold fusion papers from two sources: the list maintained by Dieter Britz at Aarhus U., and the EndNote database used to generate the indexes at LENR-CANR.org.

Available at http://lenr-canr.org/
http://lenr-canr.org/acrobat/RothwellJtallyofcol.pdf
and http://lenr-canr.org/acrobat/AdzicRRtritiummea.pdf

The cold nuclear fusion bibliography is courtesy of Jed Rothwell, LENR-CANR.org, Chamblee, GA. With problems/questions contact: JedRothwell@gmail.com.

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5. Electrochemistry Encyclopedia

The Encyclopedia contains popupar-science style articles describing many aspects of electrochemistry. New articles are added at irregular intervals, and all articles are periodically updated as recent developments occur in the field. Th Encyclopedia presently contains more than 30 articles.

Available at the URL of http://electrochem.cwru.edu/encycl/.

This Encyclopedia is courtesy of Zoltan Nagy, Department of Chemistry, The University of North Carolina at Chapel Hill. With problems/questions contact: nagyz@email.unc.edu.

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6. Worldwide directory of graduate schools for electrochemical science and engineering

Directory of graduate schools where a student can obtain PhD degree (or equivalent) by working for a professor who is specializing in electrochemical science or engineering. The directory presently contains more than 700 listings over 60 countries. Search capabilities also exist.

If you wish to be included in this directory, fill out the form available on the WWW, or e-mail the following information to: nagyz@email.unc.edu.

Full name:

Department:

University:

Mailing address:

Phone:

Fax:

E-mail:

WWW home page:

Degree offered and in what field of science or engineering.

A brief description of research interests, maximum ten (80 character) 
lines. Use keyword type descriptors to facilitate searches.

This compilation is available here at ESTIR. (http://knowledge.electrochem.org/estir/grads.htm).

This directory listing is courtesy of Zoltan Nagy, Department of Chemistry, The University of North Carolina at Chapel Hill. With problems/questions contact: nagyz@email.unc.edu.

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7. SOAS: sofware to analyse voltammetric data

SOAS is an in-house electrochemistry sofware we use to analyse voltammetric data. We're happy to provide it free and free of charge. It should install easily on Unix-like platforms: Linux and Mac OS X.

SOAS uses the graphic program and libraries of GILDAS , which should be installed first (you do not need the latest version). There are other prerequisites: check the README and INSTALL files for installation notes, and the FAQ.

SOAS uses public domain NETLIB numerical libraries. Redistribution and modifications of SOAS are possible under the terms of the GNU General Public License, see COPYING for details.

More information is available on the WWW at the URL of http://bip.cnrs-mrs.fr/bip06/qsoas/index.html.

This freeware is courtesy of Christophe Leger, CRNS. With problems/questions contact: http://bip.cnrs-mrs.fr/bip06/the-group.html.

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8. Electrochemical simulations package (ESP)

ESP is a program to perform general electrochemical simulations and curve fitting of experimental data on IBM-PCs. Available techniques are: cyclic voltammetry (CV), square wave voltammetry (SWV), chronoamperometry (CA) and sampled dc polarography (SDC).

More information is available on the WWW at the URL of http://lem.ch.unito.it/chemistry/esp_manual.html.

This freeware is courtesy of Carlo Nervi of the Department of Inorganic Chemistry, University of Torino, Torino, Italy. With problems/questions contact: carlo.nervi@unito.it.

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9. List of electrochemistry books

This compilation contains books on electrochemical science, engineering, and technology published in English since 1950. Textbooks, handbooks, monographs, and advances type (multiauthor) books are included; however, proceedings of meetings, symposia, and workshops are not. The file contains more than 1,500 books. Search capabilities also exist.

This compilation is available here at ESTIR. (http://knowledge.electrochem.org/estir/books.htm).

This bibliographic listing is courtesy of Zoltan Nagy, Department of Chemistry, The University of North Carolina at Chapel Hill. With problems/questions contact: nagyz@email.unc.edu.

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10. Publications of the Electrochemical Society, Inc. (ECS)

Index tables for recent and past years of the Journals, Proceedings Volumes, Transactions, Interface Magazine, Meeting Abstracts, Monographs.

Available at the URL of http://ecsdl.org/.

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11. List of electrochemistry proceedings volumes

This compilation contains proceedings volumes of meetings, symposia, workshops, etc, on electrochemical science, engineering, and technology published in English since 1950. The file contains more than 1,000 volumes. Search capabilities also exist.

This compilation is available here at ESTIR. (http://knowledge.electrochem.org/estir/proc.htm).

This bibliographic listing is courtesy of Zoltan Nagy, Department of Chemistry, The University of North Carolina at Chapel Hill. With problems/questions contact: nagyz@email.unc.edu.

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12. Waitfor v1.3: Cooperatively runs EG&G programs

For electochemists using EG&G INSTRUMENTS software for EIS (M398) and for conventional electrochemical measurements (M273).

Waitfor v1.3 is a utility which enables automatic interchanging of runs of any DOS programs in two different application-windows under Win3.1 or Win95. Designed for use in auto-execute sequences of M398 and M273 EG&G Instruments electrochemical software. This program enables automatic interchanging runs of auto-execute sequences of M273 (EG&G Instruments program for conventional electrochemical measurements) and M398 (EG&G Instruments program for impedance measurements).

During operation, both programs are running in the back-ground. One program automatically detects the moment that the second program has finished and takes over the control of the autoexecute sequence. For example, you can make a loop for galvanostatical reduction for one hour, then potentiostatic EIS, then reduction again automatically for fifteen cycles. Especially useful in battery related research.

This package also includes a MCONV utility which converts multiple EG&G format ASCII files produced by the run of auto-execute, to plain ASCII. Also changes *.00N type file names to *0N.dat type, if requested.

The package includes detailed description of the utility.

Special requirements: M398 and M273 EG&G Instruments electrochemical software; corresponding hardware for electrochemical/EIS measurements.

Available as file "waitfr13.zip" (46742 bytes) on the SimTel archive. Through anonymous ftp to: http://www.filewatcher.com/m/waitfr13.zip.46742-0.html.

This freeware is courtesy of Evgenij Barsukov, Kumho Chemical Laboratories, P.O. Box 64, Yuseong, Taejeon 305-600, Korea. With problems/questions contact: e-barsoukov2@ti.com.

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13. Historic publications in electrochemistry available on the Internet

This compilation contains links to the original version of historic publications in electrochemistry available on the Internet. Publications reporting the discovery of a new scientific phenomenon or a new technology. Covering the time period from the 1700’s to today, from Galvani to Marcus, and all in between. More than 50 items.

Available with a URL of http://knowledge.electrochem.org/estir/history.htm.

This compilation is courtesy of Zoltan Nagy, Department of Chemistry, The University of North Carolina at Chapel Hill. With problems/questions contact: nagyz@email.unc.edu.

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14. Bibliography of capacitors

Available from FaradNet at http://www.faradnet.com/document/documix.htm.

15. CurTiPot: an all-in-one freeware for pH and acid-base equilibrium calculations and for simulation and analysis of Potentiometric Titration Curves

A pH calculator

" fast pH calculation of any aqueous solution of acids, bases and salts, including buffers, zwitterionic amino acids, from single component to complex mixtures (30 or more species in equilibrium);”

" pH values are estimated with help of the Davies equation, from pH values iteractively computed with an accurate general equation (instead of the simple Henderson-Hasselbalch equation);”

" fractional distribution, activities and apparent dissociation constants of all species at equilibrium are displayed.”

A Data Analyzer

" input data: pH vs. volume simulated with the Virtual Titrator, typed during a titration or imported/pasted from external source (e.g., automatic titrator);”

" titration curves and derivatives are presented graphically for visual inspection/evaluation or for ptinting or pasting in other documents;”

" inflection points (end points or equivalence points) of the curves are displayed automatically, one at a time, with interpolation and controlled smoothing (cubic splines);”

" determination of multiple concentrations and refinement of pKa values by multiparametric least squares nonlinear regression - this feature is essential for very diluted and/or complex samples that exhibit titration curves with undefined inflections, eg., acid rain.”

A Virtual Titrator

" simulation of pH vs. volume titration curves of any aqueous solution of acids, bases and mixtures;”

" simulation of "near real" data tables and plots with random errors (Gaussian distribution) in pH and/or volume, to test data analysis procedures;”

" user selectable increments of pH, volume and titration speed;”

" overlay of curves (>10) for visualization of the effect of changing parameters;”

" unlimited generation of different titration curves for drilling exercises and students' examinations.”

A Distribution Diagram Generator

" distribution diagrams (alpha plots) of mono or multiprotic acids or bases showing the fractional contribution of each protonated and unprotonated species in equilibrium, plotted against pH;”

" distribution curves plotted against volume of titrant, with overlayed titration curve, revealing the principal species at the inflections and the contribution of each species at any stage of the titration;”

" protonation cuves of acids or bases showing the average number of protons bound to the Bronsted-Lowry (or Lewis) base as a function of pH as well as volume of titrant (with overlayed titration curve).”

A pKa Database

" equilibrium constants of some 250 acids and bases (see list) are already available in this user-expandable database.”

" select 1 to 7 acids-base systems and, with two clicks, load the pKas in the pH_calc, Simulation or Regression modules.”

The program can be downloaded from http://www2.iq.usp.br/docente/gutz/Curtipot_.html.

This program is courtesy of Ivano G. R. Gutz, Department of Fundamental Chemistry, Institute of Chemistry, University of Sao Paulo. With problems/questions contact: gutz@iq.usp.br

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16. AC impedance/immittance spectroscopy fitting program (LEVM)

The newest version, V.8.09, allows weighted, complex nonlinear least squares fitting of some detailed microscopic relaxation models and of millions of equivalent circuit possibilities.

SOME FEATURES OF CNLS PROGRAM LEVM

Millions of built-in circuit possibilities available. New fitting models can be easily added since all source code is included

> 10 different weighting choices are available, and weighting parameters may be free parameters of the fit

> 20 different distributed circuit elements (DCE's) available for circuits

Complex-, real-, or imaginary-part fitting is possible

A complex-fit optimization procedure is available

Input data may be in Z, Y, E (complex epsilon), or M form

Fitting or simulation may be at Z, Y, E, or M level

Input/output may be in rectangular, polar, or log-polar form

Applicable for conductive, dielectric, or mixed systems, including semiconductors, electrolytes, polymers, etc. Allows simultaneous fitting of data involving separate conductive-system and dielectric-system dispersions

Fitting of transient-response data is possible for many response models

Powerful 2- and 3-D plotting program included

Subtraction of the effects of selected circuit elements possible

"Measurement-model" fitting and Kronig-Kramers-type testing available

Estimation of distributions is possible by powerful methods of inversion of frequency or transient response data. This allows accurate transformation of wide-range data from time-to-frequency or vice versa without the need for Fourier transformation

Two types of conductive-system dispersion models available for fitting

Accurate stretched-exponential (KWW) fitting model included

New generalized-exponential-distribution fitting model available

Many of the fitting models may be used with or without adjustable small-tau cutoff of the distribution of relaxation times (tau) associated with the response, and the cutoff point may be a free parameter of the fit

Program and manual are available for downloading from: http://www.jrossmacdonald.com/.

This program is courtesy of J. Ross Macdonald, Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC, and Solartron, Inc. With problems/questions contact: macd@email.unc.edu.

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17.

18. Electrochemistry Dictionary

Simple and brief definitions of words and phrases used often in electrochemistry. In some cases, a second paragraph provides further information for the "more scientifically minded." More than 1,000 entries.

Available with a URL of http://knowledge.electrochem.org/ed/dict.htm.

This Dictionary is courtesy of Zoltan Nagy, Department of Chemistry, The University of North Carolina at Chapel Hill. With problems/questions contact: nagyz@email.unc.edu.

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19.

20. Electrochemistry books published before 1950

This compilation contains books on electrochemical science, engineering, and technology published in English before 1950. Many of these are probably of historical interest only. The books are listed in chronological order by year of publication, and in alphabetical order by first author for each year. The file can be viewed in its entirety or by selected time periods. Search capabilities also exist. This compilation presently contains over 500 books. Many of them are now available on the Internet. Links provided.

This compilation is available here at ESTIR (http://knowledge.electrochem.org/estir/old-books.htm).

This bibliographic listing is courtesy of Zoltan Nagy, Department of Chemistry, The University of North Carolina at Chapel Hill. With problems/questions contact: nagyz@email.unc.edu.

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21. ELSIM: Program for the simulation of electrochemical transient methods

ELSIM version 3.0
by Leslaw K. Bieniasz (June 1996)

The third version of the program ELSIM, for the simulation of electrochemical transient methods, is now freely available for the purposes of scientific research. Anyone willing to obtain a copy of the program is kindly requested to contact me at the addresses indicated below (email preferred).

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 simply 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.

Although in the case of complex kinetic models ELSIM 3.0 may suffer from various limitations inherent in the DOS system, this program is the most comprehensive and the most general of the currently available free and commercial programs for the simulation of electrochemical transient methods, for kinetic problems in one space dimension.

In contrast to other available simulation programs, 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. The following list of publications may be helpful in locating a subject of interest.

Basic publications about the program:

1) L. K. Bieniasz "ELSIM - A User-friendly PC Program for Electrochemical Kinetic Simulations. Version 1.0 - Solution of Integral Equations for Linear Scan and Cyclic Voltammetry". Computers. Chem., vol. 16 (1992) 11.

2) L. K. Bieniasz "ELSIM - A PC Program for Electrochemical Kinetic Simulations Version 2.0 -Solution of the Sets of Kinetic Partial Differential Equations in One-dimensional Geometry, Using Finite Difference and Orthogonal Collocation Methods". Computers. Chem., vol. 17 (1993) 355.

3) L. K. Bieniasz "A Reaction Compiler for Electrochemical Kinetics". Computers. Chem., vol. 20 (1996) 403.

4) L. K. Bieniasz "ELSIM - A Problem Solving Environment for Electrochemical Kinetic Simulations. Version 3.0 - Solution of Governing Equations Associated with Interfacial Species, Independent of Spatial Coordinates or in One-dimensional Space Geometry". Computers. Chem., vol. 21 (1997) 1.

Automatic derivation of mathematical governing equations:

1) L. K. Bieniasz "Automatic Derivation of the Governing Equations that Describe a Transient Electrochemical Experiment, Given a Reaction Mechanism of Arbitrary Complexity. Part 1. Problem Parameters and Initial Conditions". J. Electroanal. Chem., vol. 406 (1996) 33.

2) L. K. Bieniasz "Automatic Derivation of the Governing Equations that Describe a Transient Electrochemical Experiment, Given a Reaction Mechanism of Arbitrary Complexity. Part 2. Governing Equations in One-dimensional Geometry". J. Electroanal. Chem., vol. 406 (1996) 45.

Formula translation and automatic construction of simulation algorithms:

1) L. K. Bieniasz "A Method-oriented Approach to the Formulation of Algorithms for Electrochemical Kinetic Simulations". J. Electroanal. Chem., vol. 340 (1992) 19.

2) L. K. Bieniasz "A Method-oriented Approach to the Formulation of Algorithms for Electrochemical Kinetic Simulations. Part 2. Extension to Kinetic Problems Characterized by the Simultaneous Presence of Bulk and Interfacial Species". J. Electroanal. Chem., vol. 404 (1996) 195.

Various simulation methods implemented in the program:

1) L. K. Bieniasz "An Efficient Numerical Method of Solving the Abel Integral Equation for Cyclic Voltammetry". Computers. Chem., vol. 16 (1992) 311.

2) L. K. Bieniasz "An Efficient Numerical Method of Solving Integral Equations for Cyclic Voltammetry". J. Electroanal. Chem., vol. 347 (1993) 15.

3) L. K. Bieniasz and D. Britz "Electrochemical Kinetic Simulations of Mixed Diffusion / Homogeneous Reaction Problems by the Saul=92yev Finite Difference Algorithms". Anal. Chim. Acta, vol. 278 (1993) 59.

4) L. K. Bieniasz and D. Britz "Efficiency of Electrochemical Kinetic Simulations by Orthogonal Collocation and Finite Difference Methods - A Comparison". Acta Chem. Scand., vol. 47 (1993) 757.

5) L. K. Bieniasz and D. Britz "Efficiency of Electrochemical Kinetic Simulations by Orthogonal Collocation and Finite Difference Methods - A Comparison. Responses to the Comments by B. Speiser" Acta Chem. Scand., vol. 48 (1994) 609.

Numerical stability of finite-difference simulation techniques:

1) L. K. Bieniasz "The von Neumann Stability of Finite Difference Algorithms for the Electrochemical Kinetic Simulation of Diffusion Coupled with Homogeneous Reactions". J. Electroanal. Chem., vol. 345 (1993) 13.

2) L. K. Bieniasz, O. Osterby and D. Britz "Numerical Stability of Finite Difference Algorithms for Electrochemical Kinetic Simulations: Matrix Stability Analysis of the Classic Explicit, Fully Implicit and Crank-Nicolson Methods and Typical Problems Involving Mixed Boundary Conditions". Computers. Chem., vol. 19 (1995) 121.

3) L. K. Bieniasz, O. Osterby and D. Britz "Numerical Stability of Finite Difference Algorithms for Electrochemical Kinetic Simulations: Matrix Stability Analysis of the Classic Explicit, Fully Implicit and Crank-Nicolson Methods Extended to the 3- and 4- point Gradient Approximation at the Electrodes". Computers. Chem., vol. 19 (1995) 351.

4) L. K. Bieniasz, O. Osterby and D. Britz "Numerical Stability of the Saul'yev Finite Difference Algorithms for Electrochemical Kinetic Simulations: Matrix Stability Analysis of an Example Problem Involving Mixed Boundary Conditions". Computers. Chem., vol. 19 (1995) 357.

For further information regarding the conditions of availability of ELSIM, please contact the author at the address:

Dr. L. K. Bieniasz
Institute of Physical Chemistry of the Polish Academy of Sciences
Molten Salts Department, ul. Zagrody 13, 30-318 Cracow, Poland.
tel./fax.: (+ 48 12) 266-03-41.
E-mail: nbbienia@cyf-kr.edu.pl
URL: http://www.cyf-kr.edu.pl/~nbbienia/elsim3ad.html

This program is courtesy of L. K. Bieniasz, Institute of Physical Chemistry, Polish Academy of Sciences. With problems/questions contact: nbbienia@cyf-kr.edu.pl

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22. EChem++: a problem solving environment for electrochemistry

This project is conceived as an Open Source Software that realizes the idea of a Problem Solving Environment (PSE) in the field of computational electrochemistry.

Computer controlled experimental measurements, numerical simulation and analysis of electrochemical processes will be combined under a common user interface.

OOP is the paradigm, C++ the language and Linux the Operating System.

The program can be downloaded from http://www.echem.uni-tuebingen.de/~bs/echem/software/EChem++/echem++.shtml.

This program is courtesy of Bernd Speiser, Institute of Organic Chemistry, University of Tubingen. With problems/questions contact: bernd.speiser@uni-tuebingen.de.

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23. Tto®: electrochemical data processing program

The Tto program for treatment of electrochemical data begins to develop as a program only for voltammograms representation, because in our Research Laboratory we have many measuring equipment and each one uses a different data file. So that, if you wanted to compare data from different experiments, it was necessary to dump the data to treatment programs (Excel®, Origin®, SigmaPlot®, ...) by importing them, cleaning all the corresponding header and other additional information available in the file and taking into account the possible difference in the units used for potentials and currents in each type of file.

To facilitate this work we create a program for graph representation (which was autoscale). It must automatically be in charge of the conversion of units, cleaning redundant or unnecessary data and delete headers or others that may be off interest. This seminal simple idea has been growing slowly towards a more powerful program that also allows processing of data contained in the experimental files

The program works with data from CAEM Instrumentation, Autolab, BAS, CH Instruments, Digisim, Varian, and TXT instrumentation.

The program is available at http://www.uhu.es/giea/help.htm.

This program is courtesy of Juan Daniel Mozo, Huelva University, Spain. With problems/questions contact: jdaniel.mozo@diq.uhu.es.

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24. ELECHEM and FARADAY: programs to calculate various electrodeposition parameters

ELECHEM and FARADAY are lighter (110 kB) computer programs to calculate various electrodeposition parameters. Simulation for various deposition parameters, current efficiency, energy efficiency, deposit thickness, microhardness, current density, Hull cell current distribution etc., up to ternary alloy deposition can be carried out. Both are computational tool for electrochemical researchers, electrochemical industries, process engineers and students to evaluate various deposition parameters.

The program is available at http://elechem.blogspot.in/.

This program is courtesy of M Kanagasabapathy, Rajus College, Rajapalayam, India, and GNK Ramesh Bapu, Central Electrochemical Research Institute, Karaikudi, India. With problems/questions contact: rrcmks@gmail.com.

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