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Article: Styrene hydroformylation in supercritical carbon dioxide: Rate and selectivity control

TitleStyrene hydroformylation in supercritical carbon dioxide: Rate and selectivity control
Authors
KeywordsArticle
Catalysis
Chemical Modification
Chemical Reaction
Prediction
Simulation
Supercritical Fluid Extraction
Issue Date2001
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/iecr
Citation
Industrial and Engineering Chemistry Research, 2001, v. 40 n. 4, p. 1113-1118 How to Cite?
AbstractSupercritical fluids have the unique characteristic of density-tuned physicochemical properties that can affect reaction rates and selectivities. We have studied homogeneously catalyzed styrene hydroformylation in supercritical carbon dioxide (scCO2) and have shown that the reaction rate and the regioselectivity can be varied by changes in pressure at constant temperature. This rate and selectivity change is explained in terms of the transition state theory. We have determined the partial molar volumes of the reaction products based on the Peng-Robinson equation of state for an infinite-dilution solution model, a real solution model, and a real solution model with regressed interaction coefficients. Then, the estimated partial molar volumes were used to predict the experimentally observed selectivity behavior. Through these simulations, an understanding of the reaction rate and selectivity control by adjustment of the pressure was developed.
Persistent Identifierhttp://hdl.handle.net/10722/91141
ISSN
2015 Impact Factor: 2.567
2015 SCImago Journal Rankings: 0.976
References

 

DC FieldValueLanguage
dc.contributor.authorLin, Ben_HK
dc.contributor.authorAkgerman, Aen_HK
dc.date.accessioned2010-09-17T10:13:39Z-
dc.date.available2010-09-17T10:13:39Z-
dc.date.issued2001en_HK
dc.identifier.citationIndustrial and Engineering Chemistry Research, 2001, v. 40 n. 4, p. 1113-1118en_HK
dc.identifier.issn0888-5885en_HK
dc.identifier.urihttp://hdl.handle.net/10722/91141-
dc.description.abstractSupercritical fluids have the unique characteristic of density-tuned physicochemical properties that can affect reaction rates and selectivities. We have studied homogeneously catalyzed styrene hydroformylation in supercritical carbon dioxide (scCO2) and have shown that the reaction rate and the regioselectivity can be varied by changes in pressure at constant temperature. This rate and selectivity change is explained in terms of the transition state theory. We have determined the partial molar volumes of the reaction products based on the Peng-Robinson equation of state for an infinite-dilution solution model, a real solution model, and a real solution model with regressed interaction coefficients. Then, the estimated partial molar volumes were used to predict the experimentally observed selectivity behavior. Through these simulations, an understanding of the reaction rate and selectivity control by adjustment of the pressure was developed.en_HK
dc.languageengen_HK
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/iecren_HK
dc.relation.ispartofIndustrial and Engineering Chemistry Researchen_HK
dc.subjectArticleen_HK
dc.subjectCatalysisen_HK
dc.subjectChemical Modificationen_HK
dc.subjectChemical Reactionen_HK
dc.subjectPredictionen_HK
dc.subjectSimulationen_HK
dc.subjectSupercritical Fluid Extractionen_HK
dc.titleStyrene hydroformylation in supercritical carbon dioxide: Rate and selectivity controlen_HK
dc.typeArticleen_HK
dc.identifier.emailLin, B:blin@hku.hken_HK
dc.description.naturelink_to_subscribed_fulltext-
dc.identifier.scopuseid_2-s2.0-0035925276en_HK
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0035925276&selection=ref&src=s&origin=recordpageen_HK
dc.identifier.volume40en_HK
dc.identifier.issue4en_HK
dc.identifier.spage1113en_HK
dc.identifier.epage1118en_HK

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