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http://hdl.handle.net/1942/15418
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DC Field | Value | Language |
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dc.contributor.author | Van Steenberge, Paul H. M. | - |
dc.contributor.author | D'hooge, Dagmar R. | - |
dc.contributor.author | VANDENBERGH, Joke | - |
dc.contributor.author | Reyniers, Marie-Francoise | - |
dc.contributor.author | ADRIAENSENS, Peter | - |
dc.contributor.author | VANDERZANDE, Dirk | - |
dc.contributor.author | Marin, Guy B. | - |
dc.date.accessioned | 2013-08-21T09:24:51Z | - |
dc.date.available | 2013-08-21T09:24:51Z | - |
dc.date.issued | 2013 | - |
dc.identifier.citation | MACROMOLECULAR THEORY AND SIMULATIONS, 22 (4), p. 246-255 | - |
dc.identifier.issn | 1022-1344 | - |
dc.identifier.uri | http://hdl.handle.net/1942/15418 | - |
dc.description.abstract | A comparative kinetic Monte Carlo (kMC) modeling study is presented for the synthesis of poly(2-methoxy-5-(3,7-dimethyloctyloxy)-1,4-phenylenevinylene) (MDMO-PPV) via the sulfinyl and dithiocarbamate (DTC) precursor route. The sulfinyl precursor route allows a much faster polymerization toward highly regioregular and high molar mass MDMO-PPV starting from non-equimolar amounts of the isomeric sulfinyl premonomers. In the DTC precursor route, the polymerization can be started from a single dithiocarbamate premonomer and a higher yield can be reached. In contrast, synthesis of highly regioregular MDMO-PPV via the sulfinyl precursor route requires separation of the isomeric premonomers after their synthesis and before polymerization. | - |
dc.language.iso | en | - |
dc.publisher | WILEY-V C H VERLAG GMBH | - |
dc.subject.other | Polymer Science | - |
dc.title | Comparative Kinetic Monte Carlo study of the Sulfinyl and Dithiocarbamate Precursor Route toward Highly Regioregular MDMO-PPV | - |
dc.type | Journal Contribution | - |
dc.identifier.epage | 255 | - |
dc.identifier.issue | 4 | - |
dc.identifier.spage | 246 | - |
dc.identifier.volume | 22 | - |
local.format.pages | 10 | - |
local.bibliographicCitation.jcat | A1 | - |
dc.description.notes | Univ Ghent, Chem Technol Lab, B-9000 Ghent, Belgium. Hasselt Univ, Inst Mat Res IMO, Div Chem, B-3590 Diepenbeek, Belgium. IMEC, Div IMOMEC, B-3590 Diepenbeek, Belgium. | - |
local.publisher.place | WEINHEIM | - |
local.type.refereed | Refereed | - |
local.type.specified | Article | - |
dc.identifier.doi | 10.1002/mats.201200088 | - |
dc.identifier.isi | 000319329600006 | - |
item.fulltext | With Fulltext | - |
item.contributor | Van Steenberge, Paul H. M. | - |
item.contributor | D'hooge, Dagmar R. | - |
item.contributor | VANDENBERGH, Joke | - |
item.contributor | Reyniers, Marie-Francoise | - |
item.contributor | ADRIAENSENS, Peter | - |
item.contributor | VANDERZANDE, Dirk | - |
item.contributor | Marin, Guy B. | - |
item.accessRights | Restricted Access | - |
item.fullcitation | Van Steenberge, Paul H. M.; D'hooge, Dagmar R.; VANDENBERGH, Joke; Reyniers, Marie-Francoise; ADRIAENSENS, Peter; VANDERZANDE, Dirk & Marin, Guy B. (2013) Comparative Kinetic Monte Carlo study of the Sulfinyl and Dithiocarbamate Precursor Route toward Highly Regioregular MDMO-PPV. In: MACROMOLECULAR THEORY AND SIMULATIONS, 22 (4), p. 246-255. | - |
item.validation | ecoom 2014 | - |
crisitem.journal.issn | 1022-1344 | - |
crisitem.journal.eissn | 1521-3919 | - |
Appears in Collections: | Research publications |
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File | Description | Size | Format | |
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van steenberge 1.pdf Restricted Access | Published version | 792.23 kB | Adobe PDF | View/Open Request a copy |
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