New developments for modelling and simulation of activated anionic polymerization of lauryllactam
This work deals with the development of a predictive model for the anionic polymerization of lauryllactam activated by a particularly efficient catalytic system composed of aluminium hydride as catalyst and 4 , 4 ′ -diphenylmethane diisocyanate urea as activator. This model takes into account import...
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| Veröffentlicht in: | Chemical engineering science 2005-05, Vol.60 (10), p.2715-2727 |
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| creator | Rached, Rabih Hoppe, Sandrine Fonteix, Christian Schrauwen, Cornelius Pla, Fernand |
| description | This work deals with the development of a predictive model for the anionic polymerization of lauryllactam activated by a particularly efficient catalytic system composed of aluminium hydride as catalyst and
4
,
4
′
-diphenylmethane diisocyanate urea as activator. This model takes into account important side reactions occurring during the process, i.e. branching reactions and Claisen's condensations giving rise to macromolecules with several functional end-groups. Its main key parameters are identified on the basis of batch experimental data which describe the complete sketch of polymerization. They allow to predict with a good precision the monomer conversion under different operating conditions. The model is then used to simulate the concentrations of the different functional end-groups as well as the number of condensation bonds per unit volume resulting from Claisen's condensations. |
| doi_str_mv | 10.1016/j.ces.2004.12.028 |
| format | Article |
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4
,
4
′
-diphenylmethane diisocyanate urea as activator. This model takes into account important side reactions occurring during the process, i.e. branching reactions and Claisen's condensations giving rise to macromolecules with several functional end-groups. Its main key parameters are identified on the basis of batch experimental data which describe the complete sketch of polymerization. They allow to predict with a good precision the monomer conversion under different operating conditions. The model is then used to simulate the concentrations of the different functional end-groups as well as the number of condensation bonds per unit volume resulting from Claisen's condensations.</description><identifier>ISSN: 0009-2509</identifier><identifier>EISSN: 1873-4405</identifier><identifier>DOI: 10.1016/j.ces.2004.12.028</identifier><identifier>CODEN: CESCAC</identifier><language>eng</language><publisher>Oxford: Elsevier Ltd</publisher><subject>Activated anionic polymerization ; Applied sciences ; Catalysis ; Catalytic reactions ; Chemical engineering ; Chemical Sciences ; Chemistry ; Exact sciences and technology ; General and physical chemistry ; Kinetics ; Lauryllactam ; Material chemistry ; Modelling ; Reactors ; Side reactions ; Simulation ; Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry</subject><ispartof>Chemical engineering science, 2005-05, Vol.60 (10), p.2715-2727</ispartof><rights>2005 Elsevier Ltd</rights><rights>2005 INIST-CNRS</rights><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c392t-b0609d0d10998b64bc060910b0bf983e27647f98de4a93f6732601de5795655a3</citedby><cites>FETCH-LOGICAL-c392t-b0609d0d10998b64bc060910b0bf983e27647f98de4a93f6732601de5795655a3</cites><orcidid>0000-0003-3460-4585 ; 0000-0003-1688-4042</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.ces.2004.12.028$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>230,314,780,784,885,3550,27924,27925,45995</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=16668863$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://hal.science/hal-00021984$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Rached, Rabih</creatorcontrib><creatorcontrib>Hoppe, Sandrine</creatorcontrib><creatorcontrib>Fonteix, Christian</creatorcontrib><creatorcontrib>Schrauwen, Cornelius</creatorcontrib><creatorcontrib>Pla, Fernand</creatorcontrib><title>New developments for modelling and simulation of activated anionic polymerization of lauryllactam</title><title>Chemical engineering science</title><description>This work deals with the development of a predictive model for the anionic polymerization of lauryllactam activated by a particularly efficient catalytic system composed of aluminium hydride as catalyst and
4
,
4
′
-diphenylmethane diisocyanate urea as activator. This model takes into account important side reactions occurring during the process, i.e. branching reactions and Claisen's condensations giving rise to macromolecules with several functional end-groups. Its main key parameters are identified on the basis of batch experimental data which describe the complete sketch of polymerization. They allow to predict with a good precision the monomer conversion under different operating conditions. The model is then used to simulate the concentrations of the different functional end-groups as well as the number of condensation bonds per unit volume resulting from Claisen's condensations.</description><subject>Activated anionic polymerization</subject><subject>Applied sciences</subject><subject>Catalysis</subject><subject>Catalytic reactions</subject><subject>Chemical engineering</subject><subject>Chemical Sciences</subject><subject>Chemistry</subject><subject>Exact sciences and technology</subject><subject>General and physical chemistry</subject><subject>Kinetics</subject><subject>Lauryllactam</subject><subject>Material chemistry</subject><subject>Modelling</subject><subject>Reactors</subject><subject>Side reactions</subject><subject>Simulation</subject><subject>Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry</subject><issn>0009-2509</issn><issn>1873-4405</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2005</creationdate><recordtype>article</recordtype><recordid>eNp9kEFv1DAQhS0EEkvpD-gtFyr1kHTsxI6tnqqqsEgruMDZcuwJeOXEi51dtPx6vNqqvfU0nudv3mgeIVcUGgpU3G4bi7lhAF1DWQNMviErKvu27jrgb8kKAFTNOKj35EPO29L2PYUVMd_wb-XwgCHuJpyXXI0xVVN0GIKff1VmdlX20z6Yxce5imNl7OIPZkFX_orkbbWL4Thh8v-emWD26RhCQc30kbwbTch4-VQvyM_Pjz8e1vXm-5evD_eb2raKLfUAApQDR0EpOYhusCeBwgDDqGSLrBddX14OO6PaUfQtE0Ad8l5xwblpL8jN2fe3CXqX_GTSUUfj9fp-o09auZlRJbsDLez1md2l-GePedGTz7acbGaM-6yZ5IpzyQtIz6BNMeeE47MzBX0KXm91CV6fgteU6RJ8mfn0ZG6yNWFMZrY-vwwKIaQUbeHuzhyWVA4ek87W42zR-YR20S76V7b8B0A6mDs</recordid><startdate>20050501</startdate><enddate>20050501</enddate><creator>Rached, Rabih</creator><creator>Hoppe, Sandrine</creator><creator>Fonteix, Christian</creator><creator>Schrauwen, Cornelius</creator><creator>Pla, Fernand</creator><general>Elsevier Ltd</general><general>Elsevier</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>F28</scope><scope>FR3</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0003-3460-4585</orcidid><orcidid>https://orcid.org/0000-0003-1688-4042</orcidid></search><sort><creationdate>20050501</creationdate><title>New developments for modelling and simulation of activated anionic polymerization of lauryllactam</title><author>Rached, Rabih ; Hoppe, Sandrine ; Fonteix, Christian ; Schrauwen, Cornelius ; Pla, Fernand</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c392t-b0609d0d10998b64bc060910b0bf983e27647f98de4a93f6732601de5795655a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2005</creationdate><topic>Activated anionic polymerization</topic><topic>Applied sciences</topic><topic>Catalysis</topic><topic>Catalytic reactions</topic><topic>Chemical engineering</topic><topic>Chemical Sciences</topic><topic>Chemistry</topic><topic>Exact sciences and technology</topic><topic>General and physical chemistry</topic><topic>Kinetics</topic><topic>Lauryllactam</topic><topic>Material chemistry</topic><topic>Modelling</topic><topic>Reactors</topic><topic>Side reactions</topic><topic>Simulation</topic><topic>Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Rached, Rabih</creatorcontrib><creatorcontrib>Hoppe, Sandrine</creatorcontrib><creatorcontrib>Fonteix, Christian</creatorcontrib><creatorcontrib>Schrauwen, Cornelius</creatorcontrib><creatorcontrib>Pla, Fernand</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>ANTE: Abstracts in New Technology & Engineering</collection><collection>Engineering Research Database</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Chemical engineering science</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Rached, Rabih</au><au>Hoppe, Sandrine</au><au>Fonteix, Christian</au><au>Schrauwen, Cornelius</au><au>Pla, Fernand</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>New developments for modelling and simulation of activated anionic polymerization of lauryllactam</atitle><jtitle>Chemical engineering science</jtitle><date>2005-05-01</date><risdate>2005</risdate><volume>60</volume><issue>10</issue><spage>2715</spage><epage>2727</epage><pages>2715-2727</pages><issn>0009-2509</issn><eissn>1873-4405</eissn><coden>CESCAC</coden><abstract>This work deals with the development of a predictive model for the anionic polymerization of lauryllactam activated by a particularly efficient catalytic system composed of aluminium hydride as catalyst and
4
,
4
′
-diphenylmethane diisocyanate urea as activator. This model takes into account important side reactions occurring during the process, i.e. branching reactions and Claisen's condensations giving rise to macromolecules with several functional end-groups. Its main key parameters are identified on the basis of batch experimental data which describe the complete sketch of polymerization. They allow to predict with a good precision the monomer conversion under different operating conditions. The model is then used to simulate the concentrations of the different functional end-groups as well as the number of condensation bonds per unit volume resulting from Claisen's condensations.</abstract><cop>Oxford</cop><pub>Elsevier Ltd</pub><doi>10.1016/j.ces.2004.12.028</doi><tpages>13</tpages><orcidid>https://orcid.org/0000-0003-3460-4585</orcidid><orcidid>https://orcid.org/0000-0003-1688-4042</orcidid></addata></record> |
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| ispartof | Chemical engineering science, 2005-05, Vol.60 (10), p.2715-2727 |
| issn | 0009-2509 1873-4405 |
| language | eng |
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| source | Elsevier ScienceDirect Journals Complete |
| subjects | Activated anionic polymerization Applied sciences Catalysis Catalytic reactions Chemical engineering Chemical Sciences Chemistry Exact sciences and technology General and physical chemistry Kinetics Lauryllactam Material chemistry Modelling Reactors Side reactions Simulation Theory of reactions, general kinetics. Catalysis. Nomenclature, chemical documentation, computer chemistry |
| title | New developments for modelling and simulation of activated anionic polymerization of lauryllactam |
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