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.