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Hartley transform based algorithm for the qualitative and quantitative analysis of multi-component mixtures with the use of emission excitation matrices

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dc.contributor.authorAsimopoulos, Georgeen
dc.contributor.committeechairDessy, Raymond E.en
dc.contributor.committeememberMason, John G.en
dc.contributor.committeememberMerola, Joseph S.en
dc.contributor.committeememberLong, Gary L.en
dc.contributor.committeememberTanko, James M.en
dc.contributor.departmentChemistryen
dc.date.accessioned2014-03-14T21:14:30Zen
dc.date.adate2008-06-06en
dc.date.available2014-03-14T21:14:30Zen
dc.date.issued1992-10-13en
dc.date.rdate2008-06-06en
dc.date.sdate2008-06-06en
dc.description.abstractRapid advances in computer technology over the last few years and their integration into analytical instruments have led to tremendous increases in data collection rates. The need for tools to assist analytical chemists, and especially spectroscopists, in their task of interpreting such vast quantities of data is immediate. This work focuses on the development of an algorithm based on an alternative to the Fourier transform, the Hartley transform, for the qualitative and quantitative analysis of multi-component mixtures using Excitation Emission Matrices. The algorithm involves the reverse search of a compressed reference spectral library for the identification of possible components of the mixture and the method of Non-Negative Least Squares for the quantification of the components. A number of techniques for pre-processing of three dimensional fluorescence spectra along with several spectral encoding methods for the compression of the spectra were investigated. Both simulated and real data collected with a fluorescence spectrophotometer were used in this study. The algorithm proved capable of analyzing mixtures of five components with relative concentrations ratio of about 100:1 and significant spectral overlap. At the same time a compression ratio of about 10:1 for the spectra in the reference library was achieved. Finally, a library of three dimensional fluorescence spectra of some aromatic and poly-aromatic hydrocarbons was developed to be used with the algorithm. Such a library, along with the algorithm, provides a tool for the quick and simple qualitative and quantitative determination of mixtures of aromatic and poly-aromatic hydrocarbons.en
dc.description.degreePh. D.en
dc.format.extentix, 270 leavesen
dc.format.mediumBTDen
dc.format.mimetypeapplication/pdfen
dc.identifier.otheretd-06062008-171404en
dc.identifier.sourceurlhttp://scholar.lib.vt.edu/theses/available/etd-06062008-171404/en
dc.identifier.urihttp://hdl.handle.net/10919/38471en
dc.language.isoenen
dc.publisherVirginia Techen
dc.relation.haspartLD5655.V856_1992.A856.pdfen
dc.relation.isformatofOCLC# 27843841en
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subject.lccLD5655.V856 1992.A856en
dc.subject.lcshChemistry, Analytic -- Computer programsen
dc.subject.lcshFluorescence spectroscopyen
dc.titleHartley transform based algorithm for the qualitative and quantitative analysis of multi-component mixtures with the use of emission excitation matricesen
dc.typeDissertationen
dc.type.dcmitypeTexten
thesis.degree.disciplineChemistryen
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen
thesis.degree.leveldoctoralen
thesis.degree.namePh. D.en

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