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Title: Novel applications of computing in analytical chromatography
Author: Williams, P. S.
Awarding Body: University College of Swansea
Current Institution: Swansea University
Date of Award: 1980
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In recent years, non-electrolyte solution studies using chromatography have been extended to binary solvent systems. The results have not proved easy to reconcile with established theories of solution. An exciting spin-off of these studies has been the introduction of the so-called window analysis for chromatographic optimization. The thesis includes an exhaustive and critical survey of solution theories (some of which allow for complexation of one sort or another) as presented in the context of gas liquid chromatography. It is shown that in certain of these theories, misconceptions or algebraic infidelities have led to misleading results which, in some instances, have formed the basis of unnecessary polemic. In such cases, corrected versions of the theory are presented which allows securely based criticism and comparison. The experimental section comprises a comprehensive study of the squalane/dinonyl phthalate system. Retention data for ten solutes in five different liquid phase compositions, at each of eight temperatures in the range 0° to 700, have been determined with a high precision chromatograph designed and constructed in the laboratory. The results are compared with those of available static studies. It is shown that an approach by M.W.P. Harbison, R.J. Iaub, D.E. Martire, J.H. Purnell, and the author, provides an adequate account. Other theories (except, possibly, an extension of the so-called COPS theory of M.wa Muanda, J.B. Nagy and O.B. Nagy, which allows partial dimerization of dinonyl phthalate) are shown to fail, if only to an extent of a few percent in predictive power. The final section is devoted to the development of computer programs compatible with window-analysis optimization for binary solvents and for solvent mixtures of up to five components. Practical examples involving the complete baseline separation of mixtures of up to 40 components are provided. The very considerable power and potential of the window-analysis technique, and hence the computer programs, is discussed.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available