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sci.chem.electrochem Frequently Asked Questions (FAQ), Part 2/3

( Part1 - Part2 - Part3 )
[ Usenet FAQs | Web FAQs | Documents | RFC Index | Sex offenders ]
Archive-name: sci/electrochemistry-faq/part2
X-Disclaimer: Approval for *.answers is based on form, not content.
Posting-frequency: quarterly
Last-modified: July 7, 2003.
URL: http://electrochem.cwru.edu/estir/
Maintainer: Zoltan Nagy <nagy@anl.gov>

See reader questions & answers on this topic! - Help others by sharing your knowledge
*******************************************************************************

                     Frequently Asked Questions, Part 2 of 3
                          SCI.CHEM.ELECTROCHEM/ELETQM-L
                           Revision date: July 7, 2003.

The latest version of this FAQ file is available through  anonymous ftp to:
ftp://electrochem.cwru.edu/pub/estir/
Filenames: faq-1.txt, faq-2.txt, and faq-3.txt

or ftp://rtfm.mit.edu/pub/usenet/sci.answers/sci/electrochemistry-faq/

Information included in this file is made available free for any legitimate
use. However, a reference to this file will be appreciated.

Essentially the same material is also available on WWW at the Electrochemical
Science and Technology Information Resource (ESTIR) with URL of:
http://electrochem.cwru.edu/estir/

*******************************************************************************

This Frequently Asked Questions (FAQ) file will be periodically (about
quarterly) posted as information to new users and as a memory refresher to
regular users.

Corrections, additions, and suggestions for further information to be included
in this file are welcome; send them to NAGY@ANL.GOV

*******************************************************************************

Recently added:


(5.) Electrochemistry handbooks, data collections, bibliographies

Handbook of fuel cells: fundamentals, technology, applications, Vol. 1-4
   Vol. 1: Fundamentals and syurvey of systems
   Vol. 2: Electrocatalysis
   Vol. 3: Fuel cell technology and applications, part 1
   Vol. 4: Fuel cell technology and applications, part 2
   W. Vielstich, A. Lamm, and H. Gasteiger (Ed), Wiley, Chichester UK, 2003.


(8.) Closely related WWW sites, newsgroups, mailing lists, and FAQ files

   Marine battery technologies, a comparison
     http://www.vonwentzel.net/Battery/

   Electrochemical tutorials (E. Katz, Hebrew University of Jerusalem)
     http://chem.ch.huji.ac.il/~eugeniik/electrochemical_tutorials.htm

   Electrochemical systems --- voltaic power (Kingston Technical Software)
     http://voltaicpower.com/

     Batteries in a portable world (I. Buchmann)
     http://www.buchmann.ca/default.asp

      (The) Bioelectrochemical Society
      http://natasha.eng.usf.edu/bes/web_pages/1_bes_default.html

   Car Battery and Deep Cycle Batteries (W. Darden)            NEW ADDRESS
     http://www.batteryfaq.org

   Past presidents of The Electrochemiscl Society, Inc. (ECS)
      http://www.electrochem.org/presidents/pastpresidents.htm


(9.) Upcoming electrochemistry meetings

(04.01) EIS-2004: The 6th International Symposium on Electrochemical Impedance
        Spectroscopy, Cocoa Beach, FL, USA, May 16-21, 2004.

(03.21) 14th Electrochemical and Interface Engineering Course
        University of Newcastle, UK, July 7-9, 2003.
        Contact: http://www.ncl.ac.uk/eetm/activities/education.htm


(10.) Popular science information

Plastic electric, lining up the future of conducting polymers
   J. Gorman, Science News, Vol. 163, No. 20, pp 312-313, May 17, 2003.

Recharging the power grid (flow cell battery)
   P. Fairley, MIT's Technology Review, Vol. 106, No. 2, pp 50-57, March 2003.

*******************************************************************************



                                CONTENTS



PART 1


(1.) Charter of SCI.CHEM.ELECTROCHEM
(2.) SCI.CHEM.ELECTROCHEM available as the E-Mail list ELETQM-L
(3.) Electrochemical nomenclature, standards, etc.
(4.) Scientific/technical societies (or divisions/sections thereof) with
     primary interest in electrochemistry
(5.) Electrochemistry handbooks, data collections, bibliographies
(6.) English language electrochemistry journals and book series


PART 2


(7.) On-line-available, public-domain databases (bibliographies, software,

     physical/chemical data, general information, etc, etc.)

(7.1) Archives of messages from SCI.CHEM.ELECTROCHEM/ELETQM-L
(7.2) Software package: Chemical reaction network toolbox 
(7.3) Bibliographic list of review chapters relating to electrochemistry 
(7.4) Cold nuclear fusion bibliography
(7.5) Electrochemistry Encyclopedia
(7.6) Graduate school directory
(7.7) EnAnalize - a program for the analysis of electrochemical noise
(7.8) Electrochemical simulations package (ESP)
(7.9) List of electrochemistry books
(7.10) Publications of the Electrochemical Society, Inc. (ECS)
(7.11) List of electrochemistry proceedings volumes
(7.12) Waitfor v1.3: Cooperatively runs EG&G programs
(7.13) Program: COATING, for electroplating calculations
(7.14) Bibliography of Scanning Electrochemical Miscroscopy (SECM)
(7.15) A Data Analysis Service for Steady-State Voltammetry
       via the World Wide Web
(7.16) AC impedance/immittance spectroscopy fitting program (LEVM)
(7.17) Cyclic Voltammetry Simulator
(7.18) Electrochemistry Dictionary
(7.19) VirtualCV v1.0: A free cyclic voltametry simulator
(7.20) Electrochemistry books published before 1950 (English language only)
(7.21) List of in-situ electrochemical FTIR papers published worldwide since
       1997.
(7.22) ELSIM: Program for the simulation of electrochemical transient methods.



PART 3


(8.) Closely related WWW sites, newsgroups, mailing lists, and FAQ files

(9.) Upcoming electrochemistry meetings
(10.) Popular science information

SEARCH for (x.) to locate any item.

*******************************************************************************
*

(7.) On-line-available, public-domain databases (bibliographies, software, 
     physical/chemical data, general information, etc, etc.)

                                INDEX

(7.1) Archives of messages from SCI.CHEM.ELECTROCHEM/ELETQM-L
(7.2) Software package: Chemical reaction network toolbox
(7.3) Bibliographic list of review chapters relating to electrochemistry 
(7.4) Cold nuclear fusion bibliography
(7.5) Electrochemistry Encyclopedia
(7.6) Graduate school directory
(7.7) EnAnalize - a program for the analysis of electrochemical noise
(7.8) Electrochemical simulations package (ESP)
(7.9) List of electrochemistry books
(7.10) Publications of the Electrochemical Society, Inc. (ECS)
(7.11) List of electrochemistry proceedings volumes
(7.12) Waitfor v1.3: Cooperatively runs EG&G programs
(7.13) Program: COATING, for electroplating calculations
(7.14) Bibliography of Scanning Electrochemical Miscroscopy (SECM)
(7.15) A Data Analysis Service for Steady-State Voltammetry
       via the World Wide Web
(7.16) AC impedance/immittance spectroscopy fitting program (LEVM)
(7.17) Cyclic Voltammetry Simulator
(7.18) Electrochemistry Dictionary
(7.19) VirtualCV v1.0: A free cyclic voltametry simulator
(7.20) Electrochemistry books published before 1950 (English language only)
(7.21) List of in-situ electrochemical FTIR papers published worldwide since
       1997.

(7.22) ELSIM: Program for the simulation of electrochemical transient methods.

*******************************************************************************
*

(7.1) Archives of messages from SCI.CHEM.ELECTROCHEM/ELETQM-L

Messages are archived on ELETQM-L e-mail list for the time period
        from June of 1994 till January of 1998.

        The archival files can be obtained through FTP to pitanga.ufu.br

        User name:  "eletqm user"  (without "" and note that -l is missing)
        Password:   "guest"
        Account:    "guest"

        Retrieve the eletqm-l.logXXYY files of interest (XX = year, YY = 
month).
If you are retrieving multiple files they may overwrite each other, depending 
on
your system. In this case, retreive them one at a time and rename them.

*******************************************************************************
*

The ELETQM-L archival service is courtesy of Otavio L. Bottecchia, Federal
University of Uberlandia, Brazil. With problems/questions contact:
         OTAVIO@PITANGA.UFU.BR  (or OTAVIO@UFU.BR)

*******************************************************************************
*



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

        The Chemical Reaction Network Toolbox, Version 1.02 is now avail-
able via anonymous FTP at the site: ftp.che.rochester.edu in the directory 
pub/feinberg. 

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. 

                         WHAT'S NEW IN VERSION 1.02


        Apart from some minor bug fixes, there are three things that are new 
in Version 1.02: 

a. As of Version 1.02, the Chemical Reaction Network Toolbox is a protected 
mode program. This means that it can use all of your computer's memory, not 

just conventional memory. The program should run (as a DOS program) under 
Windows reasonably well. That's been my experience with Windows 3.11, but I 
don't yet know what will happen under Windows 95. You should know that 
protected mode DOS programs (which is what CRNT is now) tend to run a little 
slower than real mode programs. Moreover, they are more prone to bugs. 
Please let me know if you find any and how they are provoked.

b. Users of previous versions have asked that results of ChemLab experiments 
be exportable to text files. The idea is to have a plain output that can 
then be imported to spreadsheet programs such as Excel, Lotus 123 or Quattro 
Pro. You'll now find a new line in the Run Experiment menu labeled Write 
Output to Text File. As before, the F1 key will provide help.   

c. The old limitation of 32,767 integration steps is gone. You can now 
choose 100,000 steps (actually 99,999). If anyone feels there's a need for 
more, let me know.  

*******************************************************************************

This freeware is courtesy of Martin Feinberg, Department of Chemical 
Engineering, University of Rochester, Rochester, NY 14627. 
With problems/questions contact:
                           CRNT@CHE.ROCHESTER.EDU 

*******************************************************************************

(7.3) 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
3000 chapters, and it is >0.5 MB.

It is available on WWW at the Electrochemical Science and Technology
Information Resource (ESTIR) with URL of:

http://electrochem.cwru.edu/estir/


or through anonymous ftp to:      
     

           ftp://electrochem.cwru.edu
      then click:  pub  and   estir  
Filename: chap.txt

*******************************************************************************

This bibliographic listing is courtesy of Zoltan Nagy, The Center for
Electrochemical Science and Engineering, and Department of Chemical and
Environmental Engineering, Illinois Institute of Technology, Chicago, Illinois.
With problems/questions contact: NAGY@ANL.GOV

*******************************************************************************

(7.4) Cold nuclear fusion bibliography

This bibliography has been collected since about the middle of 1989. It is
regularly updated and is available at http://www.chem.au.dk/~db/fusion/.
The same files are also part of a WAIS site at SUNSITE.UNC.EDU (log in as
wais), where it is possible to make keyword searches.

There are several kinds of bibliography files at the www site, the main one
containing abstracts of "cold fusion" papers in scientific journals that
use referees. There is also a briefer list with just the references and

titles and several other lists, such as newspaper and magazine comments,
other papers that in some way impinge on "cold fusion" but do not deal with
it (peripherals) etc.

*******************************************************************************

The cold nuclear fusion bibliography is courtesy of Dieter Britz, Kemisk

Institut, Aarhus  Universitet, 8000 Aarhus C, Denmark. With problems/questions
contact:            DB@CHEM.AU.DK

*******************************************************************************

(7.5) 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.

http://electrochem.cwru.edu/ed/encycl/

*******************************************************************************

The Encyclopedia is courtesy of Zoltan Nagy, The Center for
Electrochemical Science and Engineering, and Department of Chemical and
Environmental Engineering, Illinois Institute of Technology, Chicago, Illinois.

With problems/questions contact: NAGY@ANL.GOV

*******************************************************************************

(7.6) Worldwide directory of graduate schools for electrochemical science and 
      engineering
      See also Section (8.1.3) for WWW links to Academic Centers.

Directory of graduate schools where a student can obtain Ph.D. degree (or
equivalent) by working for a professor who is specializing in electrochemical
science or engineering. The file presently contains more than 500 listings from
over 50 countries, and it is >0.7 MB.

This compilation is available  on WWW at the Electrochemical Science and
Technology Information Resource (ESTIR) with URL of:

http://electrochem.cwru.edu/estir/

or through anonymous ftp to:      
     
           ftp://electrochem.cwru.edu
   then click:   pub   and   estir
Filename: grads.txt

If you wish to be included in this directory, e-mail the following information
to:    nagy@anl.gov

Full name:

Department:

University:

Mailing address:

Phone:

Fax:

E-mail:

WWW home page:

Degree offered and in what field of science or engineering.
(e.g., Ph.D. in chemistry)

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

*******************************************************************************


This directory listing is courtesy of Zoltan Nagy, The Center for
Electrochemical Science and Engineering, and Department of Chemical and

Environmental Engineering, Illinois Institute of Technology, Chicago, Illinois. 
With problems/questions contact: NAGY@ANL.GOV

*******************************************************************************

(7.7) EnAnalize - a program for the analysis of electrochemical noise

The EnAnalize program has been written to perform standard statistical and
spectral analyses of electrochemical noise time records. It is written in 
Delphi
V3.0, and requires Windows 95/98 or NT to operate. The current release (alpha
V1.0) has not been fully tested, although it is generally believed to be 
working
essentially correctly. Known problems include the poor axis labelling of the
log-log power spectra (this appears to be a limitation of the Delphi Tchart
component that I cannot easily change). The program will handle up to 1 M 
points
in the time record, although this will require a large amount of memory for
rapid processing. The display of the graphs requires even more memory than the 
calculations, so this is disabled for time records of more than 64 K points 
(although the graphs can be re-enabled after loading the time record). The 
program will currently only process a single time record, and if you want to 
compare current and potential spectra, you will need to save the spectra and 
re-
plot with another program. 

This program is offered to interested users with absolutely no warranty of any 
kind. It must not be used in life critical applications or for any application 
where financial or other losses may be incurred as a result of the operation 
(correct or otherwise) of the program, or for anything where wrong operation of 
the program may cause anything more than mild irritation. 

EnAnalize is Copyright Bob Cottis 1998. It is not public domain software. This 
alpha test release is freely available to all users, except that it may not be 
included in any package, collection or product that is sold for more than a 
reasonable cost of copying. Any such redistribution must specifically include 
this licence information. 

If you accept the above terms, you can download the program from:

http://www.cp.umist.ac.uk/INFO/EnAnalize.htm

This will give the file EnAnalizeZip.exe. This file should be run from within a 
suitable directory to extract the contents. This will produce three files:

EnAnalize.exe
RACPkg1.dpl
EnAnalize Read Me.txt

From Explorer you can run the program by double-clicking EnAnalize.exe. 
Alternatively you can create a shortcut that will run the program. This must 
set 
the default directory to that in which the program files are stored. 

*******************************************************************************

EnAnalize is courtesy of Bob Cottis, The University of Manchester, Institute of 
Science and Technology (UMIST). With problems/questions contact:
BOB.COTTIS@UMIST.AC.UK

*******************************************************************************

(7.8) 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: NERVI@CH.UNITO.IT

*******************************************************************************

(7.9) 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 1000

books, and it is >0.1 MB.

It is available on WWW at the Electrochemical Science and Technology
Information Resource (ESTIR) with URL of:

http://electrochem.cwru.edu/estir/

or through anonymous ftp to:      
     
           ftp://electrochem.cwru.edu
   then click:   pub   and   estir
Filename: books.txt

*******************************************************************************

This bibliographic listing is courtesy of Zoltan Nagy, The Center for
Electrochemical Science and Engineering, and Department of Chemical and
Environmental Engineering, Illinois Institute of Technology, Chicago, Illinois. 
With problems/questions contact: NAGY@ANL.GOV

*******************************************************************************

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

Index tables for recent and past years of the Journal, Proceedings Volumes, 
Interface Magazine, Extended Abstracts.

http://www.electrochem.org/publications/publications.htm

*******************************************************************************


(7.11) 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 700 volumes, and it is >0.1 MB.


It is available on WWW at the Electrochemical Science and Technology
Information Resource (ESTIR) with URL of:

http://electrochem.cwru.edu/estir/


or through anonymous ftp to:      
     
           ftp://electrochem.cwru.edu
   then click:  pub   and  estir
Filename: proc.txt

*******************************************************************************

This bibliographic listing is courtesy of Zoltan Nagy, The Center for
Electrochemical Science and Engineering, and Department of Chemical and
Environmental Engineering, Illinois Institute of Technology, Chicago, Illinois. 
With problems/questions contact: NAGY@ANL.GOV

*******************************************************************************

(7.12) 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.

It is available on WWW through anonymous ftp to: 
ftp://ftp.simtel.net/pub/simtelnet/msdos/science/waitfr13.zip    

*******************************************************************************

This freeware is courtesy of Evgenij Barsukov, Kumho Chemical Laboratories, 
POB 64, Yuseong, Taejeon 305-600, Korea. With problems/questions contact: 
EVGEN@CAMD1.KKPCR.RE.KR

*******************************************************************************

(7.13) Program: COATING, for electroplating calculations

It calculates throwing power for current, metal, current efficiency, and
duration of electrodeposition, either for pure metals or binary alloys. With
this program it is possible to curvefit experimental data using twelve
approximation functions.

The programs runs under Windows 3.xx and Windows 95. The size of zip
archive is 132 KB.

It is available on the WWW with a URL of: http://webcenter.ru/~alexsmr
look under "Research Interests/My Programs."

*******************************************************************************

This freeware is courtesy of Alexey Smirnov, Department of Electrochemical
Processes, Mendeleyev University of Chemical Technology. With 
problems/questions
contact: ALEXSMR@ONLINE.RU

*******************************************************************************

(7.14) Bibliography of Scanning Electrochemical Miscroscopy (SECM)

Bibliography of Scanning Electrochemical Miscroscopy (SECM) and closely related
material. Available on the WWW with a URL of 

http://www.msstate.edu/Dept/Chemistry/dow1/secm/secm_bib.html

*******************************************************************************

This bibliography is courtesy of David Wipf, Department of Chemistry, 
Mississippi State University. With problems/questions contact: 
WIPF@RA.MSSTATE.EDU

*******************************************************************************

(7.15) A Data Analysis Service for Steady-State Voltammetry
       via the World Wide Web 



A service has been set up via the World Wide Web 
(http://physchem.ox.ac.uk/~rgc/datan/datan.htm)
which permits the analysis of steady-state
experimental data (limiting currents or half-wave potentials) at: 
* Spherical Electrodes
* Microdisc Electrodes
* Rotating Disc Electrodes
* Channel Electrodes
* Channel Microband Electrodes

This analysis is available for a range of common electrochemical mechanisms (E,
EC, EC2, EC2E, DISP1, DISP2 and EC' processes).  The software interpolates the 
simulated response from a series of working curves and surfaces.  These were 
generated from fully-implicit steady-state numerical simulations using 
expanding
grids for Channel and Channel microband electrodes[1] and in conformal space
for Microdisc[2], Spherical and Rotating Disc[3] electrodes.  The simulations 
employed multigrid[4] and preconditioned Krylov subspace[5] methods for the
efficient solution of the large sparse linear systems resulting from finite 
difference discretisation and global linearisation via Newton's method. 

The user simply selects a geometry and mechanism, enters the cell parameters 
and
the limiting current/half-wave potential as a function of radius/rotation

speed/flow rate.  Data may be entered directly via a WWW interface, or uploaded
as a file by FTP. For each experimental data set, the theoretical response is 
predicted for the chosen mechanism and plotted as a function of mass transport 
appropriate to the electrode geometry.


The variance is computed between the experimental and theoretical sets of data.
This may be minimised to 'fit' (i.e. optimise) unknown parameters such as rate
constants or diffusion coefficients.  A Golden Section Search[6] may be used to
find a local minimum in one dimension. Downhill Simplex minimisation[6] may be
used for multidimensional searches. One-, two- and multi-dimensional sampling 
routines are also available so that the variance curve or surface may be 
visualised allowing the global minimum to be discerned from local minima.

Analysis for wall-jet electrodes and heterogeneous chemical and electrochemical
processes at channel electrodes will be added shortly.  The service is 
available
free of charge.

References
[1] J.A. Alden and R.G. Compton, J.Phys. Chem. B, 101, (1997), 9751.
[2] J.A. Alden and R.G. Compton, J.Phys. Chem. B, 101, (1997), 9606.
[3] R.G. Compton, M.E. Laing, D. Mason, R.J. Northing, P.R. Unwin, Proc. R. 
Soc.
     Lond. A, 481, (1988), 113.
[4] J.A. Alden and R.G. Compton, J. Electroanal. Chem., 415, (1996), 1.
[5] J.A. Alden and R.G. Compton, J.Phys. Chem. B, 101,(1997), 8941.
[6] W.H. Press, S.A. Teukolsky, W.T. Vetterling and B.P. Flannery, Numerical 
    Recipes in C:  The Art of Scientific Computing, 2nd Edition, Cambridge 
    University Press, 1992.

*******************************************************************************

This service is courtesy of Richard G. Compton,

Physical and Theoretical Chemistry Labortatory, Oxford University
With problems/questions contact: RICHARD.COMPTON@CHEMISTRY.OXFORD.AC.UK

*******************************************************************************

(7.16) AC impedance/immittance spectroscopy fitting program (LEVM)


Program and manual are available for downloading from: 
http://www.physics.unc.edu/~macd/

The newest version, V.7.1, 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

*******************************************************************************

This program is courtesy of J. Ross Macdonald, Department of Physics and
Astronomy, University of North Carolina, Chapel Hill, NC, and Solartron, Inc.
For problems/questions, contact: MACD@EMAIL.UNC.EDU 

*******************************************************************************

(7.17) Cyclic Voltammetry Simulator

This simulator is a tutorial program covering the fundamental concepts of 
cyclic
voltammetry, including reaction kinetics and diffusion. To run this program, 
you

should have Windows 95 or higher. The download is 5 MB and will install on your 
hard drive.

Donload from: http://soulcatcher.chem.umass.edu/web/downloads/cyclicv.html

*******************************************************************************


This program is courtesy of Shawn Sheehan, Justin Fermann and William Vining,
The University of Massachusetts, Amherst.

*******************************************************************************

(7.18) 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 700 entries.

http://electrochem.cwru.edu/ed/dict.htm

*******************************************************************************

The Dictionary is courtesy of Zoltan Nagy, The Center for
Electrochemical Science and Engineering, and Department of Chemical and
Environmental Engineering, Illinois Institute of Technology, Chicago, Illinois.
With problems/questions contact: NAGY@ANL.GOV

*******************************************************************************

(7.19) VirtualCV v1.0: A free cyclic voltametry simulator

The software can be dowloaded via "anonymous FTP":

www.univ-brest.fr/pub/Electrochimie/ or
ftp.simtel.net/pub/simtelnet/win95/chem/vtlcv10.zip

or through:

http://www.simtel.net/pub/simtelnet/win95/chem/vtlcv10.zip

VirtualCV is a program to simulate Cyclic Voltametry experiments. It performs
virtual (simulated) experiments that are useful for teachers, students and
researchers in electrochemistry.

Program input (file or interactive) is a description of an experiment in terms
of:

Species (name, concentration, diffusion coef.),

Redox reactions (E'0, k0,alpha),

Homogeneous reactions (stoichiometry, Kf, Kb).

Program output is a voltamogram plot (real time like, XY plotter output), a
pilot signal (E=f(t), real time). A complete concentration profile can be
plotted at regular potential interval during simulation (C = f(x) real time).

The software is also useful as a viewer for experimental voltamograms and other
simulators. Many voltamograms (virtual and experimental) can be displayed
simultaneously allowing easy comparison between virtual and experimental ones.

Carlo Nervi's ESP input *.MEC files can be read and run (with some 
limitations).
Output files can be created in many formats. Graphs can be printed and exported
as WMF or BMP files.

VirtualCV was written to give students a better insight into the field of
electrochemistry. The program can also be used to investigate complex reactions
schemes, and to evaluate electrochemical system parameters (but no automatic
curve fitting yet).

Special requirements: None.

Status: Copyrighted Freeware (under GNU general public license).

*******************************************************************************

VirtualCV v1.0 is courtesy of André Laouénan, Departement de Chimie & UMR CNRS
6521, France. With problems/questions contact: ANDRE.LAOUENAN@UNIV-BREST.FR

*******************************************************************************

(7.20 Electrochemistry books published before 1950 (English language only)


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 more than 150 books.

It is available on WWW at the Electrochemical Science and Technology
Information Resource (ESTIR) with URL of:

http://electrochem.cwru.edu/estir/

or through anonymous ftp to:      

     
           ftp://electrochem.cwru.edu
      then click:  pub  and   estir  
Filename: old-books.txt

*******************************************************************************

This bibliographic listing is courtesy of Zoltan Nagy, The Center for
Electrochemical Science and Engineering, and Department of Chemical and
Environmental Engineering, Illinois Institute of Technology, Chicago, Illinois. 
With problems/questions contact: nagy@anl.gov

*******************************************************************************

(7.21) List of in-situ electrochemical FTIR papers published worldwide since
       1997.

(1) Reviews, reflectance-Abnormal Infra Red Effects and the adsorption of 
inorganic species
(2) Adsorption and reaction of organic species
(3) Adsorption of CO2 and CO
(4) Conducting (metallo)organic and inorganic films (External Reflectance)
(5) Organometallic electrochemistry
(6) Double layer studies
(7) Internal reflectance-SEIRAS
(8) Internal and external reflectance-conducting polymers
(9) Internal reflectance-general
(10) Internal and external reflectance-the semiconductor/ electrolyte interface
(11) General cell etc. design

Available at: http://www.staff.ncl.ac.uk/p.a.christensen/ftir4.htm


*******************************************************************************

This bibliographic listing is courtesy of P.A. Christensen, University of
Newcastle upon Tyne, U.K.
With problems/questions contact: p.a.christensen@ncl.ac.uk

*******************************************************************************

(7.22) 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


*******************************************************************************

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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