Application Of Computer Technology In Chromatography

The elementary application of computer technology in chromatography is introduced in this paper, which consist of the following parts.In chapter one, the basic theory and application of artificial neural networks and wavelet technology in HPLC were introduced.In chapter two, artificial neural networks have been applied for predicting the hydrophobic parameters of alkylbenzene. The relationship between molecular connectivity index (x), Vander Waals surface area (Aw) and hydrophobic parameter was studied. Good agreement of the hydrophobic parameters between the experimental values and those calculated by using networks were obtained.In chapter three, a new method was presented to deal with chromatographic weak signals. Chart adding method and wavelet technology were applied to improve the SNR. The signals which can only be qualitatively analyzed now can be quantitatively analyzed by using proposed method. In present work, the method was applied to capillary electrophoresis signals of p-aminobenzoic acid. The SNR was improved from 3 to 10 and above, which was a satisfactory result.In chapter four, a new method has been established for predicting the retention time under gradient elution in reverse phase high performance chromatography by modeling chromatographic process with differential equations and getting the solution of these equations with numerical simulation. The method can predict the retention time of molecules when the partition of the solutes between the solid phase and mobile phase is linear or nonlinear. To test the validity of the method, experiments has been performed with the proteins and satisfactory results have been obtained.