A Square Data Analysis Algorithm And Its Application In Three-dimensional Fluorescence And Complex Test System

In the introduction section of this thesis, the history of chemometrics has been stated in brief at first, then, the development of trilinear data resolution and calibration in chemometrics was emphasized, which involving the three-way models trilinear decomposition algorithms as well as the applications of these algorithms to the real system in different fields.In chapter 2, the theory of an improved trilinear decomposition algorithm based on a lagrange operator (LO) has been described. The traditional parallel factor algorithm (PARAFAC) was improved to converge faster and overcome the sensibility to estimate the number of components by this method, which were proved to be feasible and efficient by a simulated data and a measured data.In chapter 3, a method for simultaneous resolution and determination of three components ( pyrene, chrysene and anthracene) in complex coal tar system has been introduced. The simulated and real systems were measured by excitation-emission matrix fluospectroscopy (EEMs) and the measured data were resolved by parallel factor analysis method. This method was proved to be a fast and simple way in the determination of polycyclic aromatic hydrocarbons (PAHs) without any pretreatment and separation in the complex coal tar samples.In chapter 4, a new procedure for simultaneous resolution and determination of two components (aesulin and aesculetin) in complex cortex fraxini system has been developed. The two components were measured by excitation-emission matrix fluospectroscopy (EEMs) both in simulated and real system. The results of measured data, which were resolved by alternating trilinear decomposition method (ATLD) . It was shown that it was feasible and simple method in the determination of two main components in the complex cortex fraxini without pretreatment and separation.In chapter 5, a method for the simultaneous resolution and determination of the five isomers of dimethylphenols contained in the environments and energy has been stated. The simulated system, whose spectra and chromatograms were overlapped seriously, was measured by HPLC-DAD. The measured data, which were selected in the better region of the chromatograms and spectra, were resolved by alternatingtrilinear decomposition method (ATLD). The results of the experiment shown that the simultaneous resolution and of the five isomers of dimethylphenols were realized.