Optimization of living radical polymerization through distributed control of energy

Aviel Faliks, Richard A. Yetter, Christodoulos A. Floudas, Yen Wei, Herschel Rabitz

Research output: Contribution to journalArticle

Abstract

An optimal control methodology is applied to the goal of lowering the reaction time while maintaining low polydispersity in living free-radical polymerization. An illustration is provided using a heat flux to optimize the temperature profile for living free-radical polymerization of styrene in a plug flow reactor. The reactor designs show that distributed heat flux along the length of the reactor can reduce the reaction time significantly for a given conversion. The reduction in residence time comes at the expense of a modest increase in polydispersity. A reference simulation with no optimization shows a conversion of 85% after 70 h and a final polydispersity of 1.31. Optimization of a distributed heat flux results in a conversion of 83% after only 33 h while the polydispersity rises slightly to 1.39. The theoretical designs, although not proven to be globally optimal, are of high quality.

Original languageEnglish (US)
Pages (from-to)2797-2801
Number of pages5
JournalMacromolecular Chemistry and Physics
Volume202
Issue number13
DOIs
StatePublished - Sep 18 2001

Fingerprint

Living polymerization
Polydispersity
Free radical polymerization
heat flux
polymerization
Heat flux
reaction time
free radicals
optimization
reactors
reactor design
optimal control
plugs
styrenes
temperature profiles
Styrene
energy
methodology
simulation
Temperature

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Polymers and Plastics
  • Organic Chemistry
  • Materials Chemistry

Cite this

Faliks, Aviel ; Yetter, Richard A. ; Floudas, Christodoulos A. ; Wei, Yen ; Rabitz, Herschel. / Optimization of living radical polymerization through distributed control of energy. In: Macromolecular Chemistry and Physics. 2001 ; Vol. 202, No. 13. pp. 2797-2801.
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Optimization of living radical polymerization through distributed control of energy. / Faliks, Aviel; Yetter, Richard A.; Floudas, Christodoulos A.; Wei, Yen; Rabitz, Herschel.

In: Macromolecular Chemistry and Physics, Vol. 202, No. 13, 18.09.2001, p. 2797-2801.

Research output: Contribution to journalArticle

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