| In Chapter I, a rapid, microcomputer-based search system for binary-coded spectra is demonstrated for a mass spectral data base containing 30,476 spectra. Search throughputs of several hundred spectra per second are demonstrated on a laboratory microcomputer. The search system exhibited is entirely "free-standing" and does not depend upon the availability of any other data processing requirements for pre or postsearch processing. The general performance requirements of a computer system necessary for performing exhaustive searches on large data bases are also discussed. An advantage of such exhaustive searches as contrasted with searches resorting to I/O and computation reducing prefilter techniques is outlined. A modification of the Grotch distance metric which reduces the weight given extra peaks relative to missing peaks in an unknown spectrum is also presented. This metric accommodates the possibility of having impurity peaks or mixtures in real samples.;Chapter II describes the electronics, construction and use of a low cost phase selective lock-in amplifier suitable for AC polarography. The device operates from 10 Hz to 10 kHz in 1,2,5 multiples of frequency. Results are presented for a study on the reduction of Cd('2+) in 0.5M KCl at a hanging mercury drop electrode.;Chapter III describes the development of a computerized data acquisition and analysis system for performing kinetic measurements using AC voltammetry. Both the data acquisition hardware and the data analysis software are described. A system of three computer programs were written which (1) perform all of the data analysis, (2) perform a preliminary series of calculations that are not corrected for effects due to solution resistance and double layer capacitance, and (3) to take the preliminary results from the second step and perform a correction so that the kinetic parameters (in the form of faradaic resistance and pseudocapacitance values) do not contain contributions due to the solution resistance or double layer capacitance. The hydrogen adsorption/desorption reaction at a platinum electrode in 1N HClO(,4) is studied in order to evaluate the system performance. Results of this study were in agreement with other studies performed using different methods.;A number of useful computer programs and electronic circuits are documented in a series of appendices following the body of the dissertation. |
