Synthesis Of Chemical Reaction Paths: Economic and Specification Constraints

T. Fornari, G. Stephanopoulos

Research output: Contribution to journalArticlepeer-review

19 Scopus citations


The synthesis of alternative reaction paths leading to a desired chemical 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 thermodynamic feasibility is a preliminary screening which reduces the number of chemical production schemes. Further screening is necessary, taking into account considerations which are related to economics, processing, safety and so on. Some constraints related with role specification, gross added value and demand/supply requirements are analysed in this paper. Examples illustrate the application of the screening procedure, showing that the addition of a few constraints results in a dramatic decrease of alternative reaction paths.

Original languageEnglish (US)
Pages (from-to)159-182
Number of pages24
JournalChemical Engineering Communications
Issue number1
StatePublished - Jan 1994
Externally publishedYes


  • Chemical reaction screening
  • Chemical reactions
  • Reaction synthesis

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)


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