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Simultaneous Determination Xylene and Tolualdehyde Isomers by Chemomtrics-HPLC

Author: HuangYan
Tutor: LiYanWei
School: Taiyuan University of Technology
Course: Applied Chemistry
Keywords: Chemometrics High Performance Liquid Chromatography Xylene Methylbenzaldehyde Isomers Simultaneous determination of
CLC: O621.2
Type: Master's thesis
Year: 2009
Downloads: 20
Quote: 0
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Abstract

Physical and chemical properties of organic compounds isomers are very similar, the method of analysis is very difficult to establish, hot and difficult analytical chemistry research. At present, domestic and foreign research reports, separation techniques and analysis methods commonly used chromatography, spectrometry, GC-MS and derivatization. This topic will be the method of high performance liquid chromatography and chemometrics organic combination of the simultaneous determination of organic compounds isomers not only greatly improve the resolving power of the chromatographic techniques reduce the chromatographic separation of the limitations of the development and application of chromatographic techniques has opened up a new area of ??research, but also will further promote the chemometrics own development. This not only has an important theoretical research value, and quality control of such products in the industrial production of important guiding significance. This thesis, the use of partial least squares method in chemometrics, BP and RBF artificial neural network method, high separation efficiency, high performance liquid chromatography combined with good selectivity, o-xylene and methyl benzaldehyde between the three isomers mixed system determined as follows: 1. using high performance liquid chromatography (HPLC) respectively, while o-xylene and methyl benzaldehyde was measured between the same score on three different isomer mixture, by optimizing the detection wavelength, column separation mode, the mobile phase flow rate and column temperature, etc., to determine its determination of optimal chromatographic conditions. Optimum chromatographic conditions, the establishment of the calibration set of predictive models, the calibration samples were measured. By optimizing the partial least squares method model parameters, xylene and methyl benzaldehyde three with the simultaneous determination of isomers of the model to determine the predicted range. Analog samples spiked recovery test, the average recoveries were 95.61% to 101.96%, with satisfactory results. BP and RBF artificial neural network method each of the three isomers of xylene and methyl benzaldehyde mixture chromatography experimental data are processed through the optimization of the model parameters were established for the simultaneous determination of these two types of isomers mixture BP and RBF neural network model. Analog samples spiked recovery test, the recoveries were 90.94% to 102.95%, with satisfactory results. The partial least squares method, BP and RBF artificial neural network three chemometric methods to establish the predictive performance of the model were compared, pointed out that the analytic ability and predictive ability of the various methods of varying degrees of overlapping peaks, as model of each component in the mixture of isomers of organic compounds with the same score to provide a reference for the simultaneous determination.

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CLC: > Mathematical sciences and chemical > Chemistry > Organic Chemistry > Organic Chemistry general issues > Properties of organic compounds
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