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http://hdl.handle.net/1942/20611
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DC Field | Value | Language |
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dc.contributor.author | ZAQUEN, Neomy | - |
dc.contributor.author | Van Steenberge, Paul H. M. | - |
dc.contributor.author | D'hooge, Dagmar R. | - |
dc.contributor.author | Reyniers, Marie-Francoise | - |
dc.contributor.author | Marin, Guy B. | - |
dc.contributor.author | VANDENBERGH, Joke | - |
dc.contributor.author | LUTSEN, Laurence | - |
dc.contributor.author | VANDERZANDE, Dirk | - |
dc.contributor.author | JUNKERS, Tanja | - |
dc.date.accessioned | 2016-02-11T11:54:51Z | - |
dc.date.available | 2016-02-11T11:54:51Z | - |
dc.date.issued | 2015 | - |
dc.identifier.citation | MACROMOLECULES, 48 (22), p. 8294-8306 | - |
dc.identifier.issn | 0024-9297 | - |
dc.identifier.uri | http://hdl.handle.net/1942/20611 | - |
dc.description.abstract | A kinetic model using Predici is developed and applied to obtain an improved mechanistic understanding of the radical sulfinyl precursor polymerization route for poly(2-methoxy-5-(3'-7'-dimethyloctyloxy-4-((octylsulfinyl)methyl))-1,4-phenylenevinylene) (MDMO-PPV) synthesis. In this route, the premonomer-1-(chloromethyl)-5-((3,7-dimethyloctyl)-oxy)-2-methoxy-4-((octylsulfinyl)methyl)benzene (MDMO) is subjected to a base-induced elimination reaction using NatBuO as base and s-BuOH as solvent. Microreactors are used to ensure rapid mixing of reaction components and sharp quenching at precisely determined time points. Systematic kinetic data that follows the very fast precursor polymerizations with reaction time have in this way become available for the first time. Via the applied kinetic model, the presence of a chain transfer reaction is unambiguously confirmed and kinetic rate coefficients have been deduced, which fall within the typical expectations of radical chain reactions. Two models were further compared, one including chain reinitiation (noninhibition model) and one excluding reinitiation (inhibition model) of the by chain transfer-generated radical species. Investigation of trend lines suggest a preference of the reinitiation model, thereby implying that MDMO-PPV synthesis follows mostly a conventional free radical polymerization mechanism that only differs with respect to its initiation mode and the biradical nature of the propagation step. | - |
dc.description.sponsorship | All authors are grateful for funding from the Belgian Science Policy (BELSPO) in the framework of the Interuniversity Attraction Pole program P7/05-Functional Supramolecular Systems (FS2). N.Z. is grateful for the funding from the "Agency for Innovation by Science and Technology" in Flanders (IWT), T.J. is grateful for funding from the "Fund for Scientific Research" Flanders (FWO) in the framework of the Odysseus scheme. J.V., D.R.D. and P.H.M.V.S wish to thank the FWO for a postdoctoral fellowship grant. P.H.M.V.S., D.RD., M.-F.R, and G.B.M. acknowledge financial support from the Long Term Structural Methusalem Funding by the Flemish Government. | - |
dc.language.iso | en | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.rights | © 2015 American Chemical Society | - |
dc.title | Improved Mechanistic Insights into Radical Sulfinyl Precursor MDMO-PPV Synthesis by Combining Microflow Technology and Computer Simulations | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 8306 | - |
dc.identifier.issue | 22 | - |
dc.identifier.spage | 8294 | - |
dc.identifier.volume | 48 | - |
local.format.pages | 13 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.notes | [Zaquen, Neomy; Vandenbergh, Joke; Vanderzande, Dirk J. M.; Junkers, Thomas] Hasselt Univ, Inst Mat Res IMO IMOMEC, Polymer React Design Grp PRD, B-3590 Diepenbeek, Belgium. [Van Steenberge, Paul H. M.; D'hooge, Dagmar R.; Reyniers, Marie-Francoise; Marin, Guy B.] Univ Ghent, Chem Technol Lab, B-9052 Ghent, Belgium. [D'hooge, Dagmar R.] Univ Ghent, Dept Text, B-9052 Ghent, Belgium. [Lutsen, Laurence; Vanderzande, Dirk J. M.; Junkers, Thomas] IMEC Associated Lab IMOMEC, B-3590 Diepenbeek, Belgium. | - |
local.publisher.place | WASHINGTON | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
dc.identifier.doi | 10.1021/acs.macromol.5b01884 | - |
dc.identifier.isi | 000365463900024 | - |
item.contributor | ZAQUEN, Neomy | - |
item.contributor | Van Steenberge, Paul H. M. | - |
item.contributor | D'hooge, Dagmar R. | - |
item.contributor | Reyniers, Marie-Francoise | - |
item.contributor | Marin, Guy B. | - |
item.contributor | VANDENBERGH, Joke | - |
item.contributor | LUTSEN, Laurence | - |
item.contributor | VANDERZANDE, Dirk | - |
item.contributor | JUNKERS, Tanja | - |
item.fullcitation | ZAQUEN, Neomy; Van Steenberge, Paul H. M.; D'hooge, Dagmar R.; Reyniers, Marie-Francoise; Marin, Guy B.; VANDENBERGH, Joke; LUTSEN, Laurence; VANDERZANDE, Dirk & JUNKERS, Tanja (2015) Improved Mechanistic Insights into Radical Sulfinyl Precursor MDMO-PPV Synthesis by Combining Microflow Technology and Computer Simulations. In: MACROMOLECULES, 48 (22), p. 8294-8306. | - |
item.accessRights | Restricted Access | - |
item.fulltext | With Fulltext | - |
item.validation | ecoom 2016 | - |
crisitem.journal.issn | 0024-9297 | - |
crisitem.journal.eissn | 1520-5835 | - |
Appears in Collections: | Research publications |
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acs%2Emacromol%2E5b01884.pdf Restricted Access | Published version | 1.66 MB | Adobe PDF | View/Open Request a copy |
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