Application of Genetic Algorithm in Kinetic Modeling and Reaction Mechanism Studies

This study is focused on the development of a systematic computational approachwhich implements genetic algorithm (ga) to find the optimal rigorous kinetic models.a general kinetic model for hydrogenolysis of dibenzothiophene (dbt) based on langmuirhinshelwoodtype has been obtainedfrom open literature. this model consists ofeight continuousparameters(e.g., arrhenus and van't hoffparameters) and six discrete parameters representing theorder ofthe reaction with respect to each concentration.the optimal value of these parameters have been obtained based on genetic algorithm.furthermore, the best type ofgenetic operators and their corresponding parameters for this type ofproblems have been obtained based on a comprehensive study ofthe effect ofthese parameters onthe efficiency ofthe genetic algorithm.the study shows that the optimum parameters corresponding to genetic algorithms depends on thetype ofoperators used in ga. due to flexibility and generality ofgenetic algorithms, it seems thatga is a useful technique with lots of potentials in determination of optimum kinetic modelcorresponding to a set ofcomplex reactions.