DETERMINATION OF STABILITY-CONSTANTS USING GENETIC ALGORITHMS

Citation
Mk. Hartnett et al., DETERMINATION OF STABILITY-CONSTANTS USING GENETIC ALGORITHMS, Analytica chimica acta, 316(3), 1995, pp. 347-362
Citations number
38
Categorie Soggetti
Chemistry Analytical
Journal title
ISSN journal
00032670
Volume
316
Issue
3
Year of publication
1995
Pages
347 - 362
Database
ISI
SICI code
0003-2670(1995)316:3<347:DOSUGA>2.0.ZU;2-3
Abstract
A genetic algorithm (GA)-simplex hybrid approach has been developed fo r the determination of stability constants using calorimetric and pola rographic data obtained from literature sources. The GA determined bot h the most suitable equilibrium model for the systems studied and the values of the stability constants and the heats of formation for the c alorimetric studies. As such, a variable length chromosome format was devised to represent the equilibrium models and stability constants (a nd heats of formation). The polarographic data were obtained from stud ies of cadmium chloride and lead with the crown ether dicyclohexyl-18- crown-6. The calorimetric data were obtained from a study of a two ste p addition reaction of Hg(CN), with thiourea. The stability constants obtained using the GA-simplex hybrid approach compare favourably with the values quoted in the literature.