Synthesis Of Chemical Reaction Paths: Economic and Specification Constraints

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

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
Volume129
Issue number1
DOIs
StatePublished - Jan 1 1994
Externally publishedYes

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Chemical reactions
Screening
Specifications
Economics
Thermodynamics
Processing

Keywords

  • Chemical reaction screening
  • Chemical reactions
  • Reaction synthesis

ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)

Cite this

Synthesis Of Chemical Reaction Paths : Economic and Specification Constraints. / Fornari, T.; Stephanopoulos, George.

In: Chemical Engineering Communications, Vol. 129, No. 1, 01.01.1994, p. 159-182.

Research output: Contribution to journalArticle

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