Simultaneous multicomponent spectrophotometric kinetic determination by a hybrid intelligent computing method

Authors:
Ling Gao;Shouxin Ren
Affiliations:
Department of Chemistry, Inner Mongolia University, Huhhot, Inner Mongolia, China;Department of Chemistry, Inner Mongolia University, Huhhot, Inner Mongolia, China
Venue:
AICI'11 Proceedings of the Third international conference on Artificial intelligence and computational intelligence - Volume Part I
Year:
2011

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Abstract

The improved PLS regression algorithm was developed by adding a preprocessor based on DOSC and WPT for enhancing the ability in the extraction of characteristic information and the quality of regression. The kinetic intelligent computing approach that combines kinetic-catalytic method with DOSC-WPT-PLS does not require a detailed kinetic model of the chemical system to obtain the order of reaction and rate constants. No reference to this method has been found. A program (PDOSCWPTPLS) was designed to perform the simultaneous spectrophotometric kinetic determination of Mn (II), Ag (I) and Fe (III). The relative standard errors of prediction (RSEP) obtained for all components using DOSC-WPT-PLS, WPTPLS and PLS were compared for evaluating their predictive capability. Experimental results demonstrated that the DOSC-WPT-PLS method had the best performance among the three methods and the results delivered by DOSC-WPT-PLS were significantly better.