SYNTHESIS OF CHEMICAL-REACTION PATHS - ECONOMIC AND SPECIFICATION CONSTRAINTS

The synthesis of alternative reaction paths leading to a desired chemi cal has received increasing attention in the recent past. A procedure to develop new reaction schemes in a systematic manner was reviewed by the authors ([1-3]). The algorithm presented in these earlier papers implied the generation of an infinite number of reaction paths. The th ermodynamic feasibility is a preliminary screening which reduces the n umber of chemical production schemes. Further screening is necessary, taking into account considerations which are related to economics, pro cessing, safety and so on. Some constraints related with role specific ation, gross added value and demand/supply requirements are analysed i n this paper. Examples illustrate the application of the screening pro cedure, showing that the addition of a few constraints results in a dr amatic decrease of alternative reaction paths.