Patent ID: 6013172
Filing Date: 2000-01-11
Classification: B01J,C10G,Y10S

Abstract:
A method for determining optimum local kinetic constants for a chemical flow reactor having a flow field for producing a product, said method comprising the steps of:selecting experimental test data sets for various conditions including measured product yields for a plurality of products and flow conditions in the chemical flow reactor;determining a calculated product yield of the chemical flow reactor for each of said products for selected test conditions using specified kinetic constants and flow conditions using coupled computational fluid dynamics and chemical kinetics for calculating product yields;comparing said calculated product yields with said measured product yields and adjusting said flow conditions until said calculated product yields match said measured product yields; andcomparing said calculated product yields with said measured product yields at said adjusted flow conditions and adjusting said kinetic constants until said calculated product yields match said measured product yields, wherein said adjusted kinetic constants incorporate the effects of coupled computational fluid dynamics and chemical kinetics.