Polar 2.3 for Windows: voltammogram simulator and data analysis

		Dr Weiguang HUANG, B. Hibbert
School of Chemistry, University of New South Walse, Sydney, NSW 2052, 
Australia
Phone: (61 2) 385 4643, Fax: (61 2) 3856141
After Jult 1996, Phone: (61 2) 9385 4643, Fax: (61 2) 93856141
Email: w.huang@unsw.edu.au
http://acsusun.acsu.unsw.edu.au/~s9300078

  The program simulates 8 types of voltammograms with charge current
and random noise in 12 mechanisms at planar, spherical and cylindrical 
electrodes (i.e. DC, normal pulse, pseudo-derivative normal pulse, 
differential pulse, linear sweep, cyclic normal pulse, cyclic pseudo-
derivative normal pulse, cyclic differential pulse, and cyclic 
linear sweep voltammograms). 

  Its data analysis include detecting peak area, current and 
potential, doing semi-derivative, derivative, intergral.

  The shape of normal pulse polarogram is equivalent to DC 
polarogram while the shape of pseudo-derivative normal pulse polarogram 
is similar to differential pulse polarogram. But there is effect of the 
DC term on differential pulse voltammogram. 

  The user can select polarography (voltammetry) methods (e.g. cyclic 
differential pulse, or cyclic linear sweep voltammetry), electrode geometry 
(planar, spherical or cylindrical electrode), and input the number of 
species and individual species' parameters such as the rate constant, 
charge transfer coeffiecient, number of electron, concentration, diffusion 
coeffiecient, and standard potential. The user also can enter
the sweep range, potential step, potential scan rate, pulse time, 
drop time, area of electrode, pulse amplitude, noise and baseline. 
The progrom can overlap voltammograms. It also outputs the number of peaks, 
the peak current and potential, and cuurent-potential data, which can be 
imported into other program (e.g. Lotus 123). User can copy-and-paste the 
voltammogram into his document.

  It has been successfully applied to fit experimental polarograms
(voltammograms) of In(III), Cd(II), Pb(II), Tl(I), Cr(III), Zn(II), and
binuclear copper complex in aqueous and non-aqueous media at mercury, 
solid metal and non-metal electrodes (specifically the dropping mercury,
hanging mercury drop, gold, platinum and glassy carbon electrodes) by
various electrochemical techniques (differential pulse, sqware wave, and 
pseudo-derivative normal pulse polargraphies) [1-6].

  It runs on IBM PC under MS-DOS and Windows, available from the 
author (demo version is available by 
ftp://ftp.chem.unsw.edu.au/huang/polar23a.zip).
	
	REFERENCES
[1] W. Huang, T. Henderson, A.M. Bond and K.B. Oldham, Curve fitting to
    resolve overlapping voltammetric peaks: model and examples, Anal.
    Chim. Acta, 1995, 304, 1-15.
[2] W. Huang, Resolution in polarography and voltammetry: New theoretical
    and experimental aspects, Ph.D. thesis, Deakin University, Geelong,
    Australia, 1990, p 1-305.
[3] A. Bond, W. Huang and K. Oldham, Studies of overlapping peaks in pulse 
    polarography: resolution on reversible electrode processes, Proc. of 
    7th Australian Electrochem. Conf., Uni. of New South Walses, Sydney, 
    Australia, 1988, p 383.
[4] A. Bond, W. Huang, T. Henderson and K. Oldham, Classification of 
    Methods for Resolving Overlapping Signals, Proc. of Chinese Chemistry 
    Symposium, La Trobe Uni., Melbourne, Australia, 1990, p 8-9.
[5] W. Huang, B. Hibbert and A. Bond, Evaluation of resolution of polaro-
    graphic peaks, Proc. of 9th Australian Electrochem. Conf., Uni. of 
    Wollongong, Wollongong, Australia, 1994, p 75.1-75.3.
[6] W. Huang and B. Hibbert, Computers & Chem., 1995.