US EPA

1322505 

Journal Article 

Simultaneous determination of reaction order and rate constant of consecutive reactions by union optimization algorithm of NGA-TS 

Cao, T; Zhu, Z; Huang, X; Li, T 

2005 

Yes 

Canadian Journal of Analytical Sciences and Spectroscopy
ISSN: 1205-6685 

CANADIAN SOC ANALYTICAL SCIENCES & SPECTROSCOPY 

OTTAWA 

50 

4 

182-191 

English 

WOS:000202944800002 

Numeric genetic algorithm (NGA) and Tabu search (TS) are
both efficient optimization algorithms. They have advantages and shortcomings. A new optimization
algorithm, NGA-TS, is proposed to enhance the efficiency of the search algorithm and avoid
entrapment into local minima. Target testing factor Analysis (TTFA), combined with NGA-TS, is
applied to resolve the two-way kinetic-spectral data obtained in the process of spectroscopic
reactions, to obtain a clean spectrum of each component and calculate the kinetic parameters
including rate constants and reaction order. By numeric integration the kinetic spectrum of each
component can be calculated. The method can also be applied to resolve the reaction system with
arbitrary reaction order. With rate constants and reaction order optimized by NGA and NGA-TS
respectively, the simulated data matrix for a two-step consecutive reaction has been successfully
resolved and it is found that NGA-TS is more efficient than NGA. The data matrices measured for
the alkaline hydrolysis of diethyl phthalate and the electrodegradation process of sunset yellow
have been solved. 

TTFA; two-way kinetic-spectral data; reaction order; rate constant; NGA-TS