Modeling polymer grafted nanoparticle networks reinforced by high-strength chains.
Identifieur interne : 002090 ( Main/Exploration ); précédent : 002089; suivant : 002091Modeling polymer grafted nanoparticle networks reinforced by high-strength chains.
Auteurs : Matthew J. Hamer [États-Unis] ; Balaji V S. Iyer ; Victor V. Yashin ; Tomasz Kowalewski ; Krzysztof Matyjaszewski ; Anna C. BalazsSource :
- Soft matter [ 1744-6848 ] ; 2014.
Descripteurs français
- KwdFr :
- MESH :
English descriptors
- KwdEn :
- MESH :
- chemical , chemistry : Polymers.
- chemistry : Nanoparticles.
- Computer Simulation, Models, Chemical, Tensile Strength.
Abstract
Using a multi-scale computational approach, we determine the effect of introducing a small fraction of high-strength connections between cross-linked nanoparticles. The nanoparticles' rigid cores are decorated with a corona of grafted polymers, which contain reactive functional groups at the chain ends. With the overlap of neighboring coronas, these reactive groups can form weak labile bonds, which can reform after breakage, or stronger bonds, which rupture irreversibly and thus, the nanoparticles are interconnected by dual cross-links. We show that this network can be reinforced by the addition of high-strength connections, which model polymer arms bound together by bonds with energies on the order of 100 kBT. We demonstrate that in the course of these simulations, these high-strength connections can be treated as unbreakable chains. By subjecting networks with a random distribution of the unbreakable chains to tensile deformation at a constant strain-rate, we determine the distribution of strain at break and toughness. With even a small amount of unbreakable chains, the nanoparticle networks can survive strains far greater than the networks without these connections. Furthermore, networks containing the high-strength connections tend to form long, thin threads, which enable a larger strain at break. The findings provide guidelines for creating polymer grafted nanoparticles networks that could show remarkable strength and ductility.
DOI: 10.1039/c3sm52300d
PubMed: 24652523
Affiliations:
Links toward previous steps (curation, corpus...)
- to stream PubMed, to step Corpus: 003571
- to stream PubMed, to step Curation: 003548
- to stream PubMed, to step Checkpoint: 003548
- to stream Ncbi, to step Merge: 001702
- to stream Ncbi, to step Curation: 001702
- to stream Ncbi, to step Checkpoint: 001702
- to stream Main, to step Merge: 002177
- to stream Main, to step Curation: 002090
Le document en format XML
<record><TEI><teiHeader><fileDesc><titleStmt><title xml:lang="en">Modeling polymer grafted nanoparticle networks reinforced by high-strength chains.</title><author><name sortKey="Hamer, Matthew J" sort="Hamer, Matthew J" uniqKey="Hamer M" first="Matthew J" last="Hamer">Matthew J. Hamer</name><affiliation wicri:level="4"><nlm:affiliation>Chemical Engineering Department, University of Pittsburgh, Pennsylvania 15261, USA. balazs@pitt.edu.</nlm:affiliation><country xml:lang="fr">États-Unis</country><wicri:regionArea>Chemical Engineering Department, University of Pittsburgh, Pennsylvania 15261</wicri:regionArea><orgName type="university">Université de Pittsburgh</orgName><placeName><settlement type="city">Pittsburgh</settlement><region type="state">Pennsylvanie</region></placeName></affiliation></author><author><name sortKey="Iyer, Balaji V S" sort="Iyer, Balaji V S" uniqKey="Iyer B" first="Balaji V S" last="Iyer">Balaji V S. Iyer</name></author><author><name sortKey="Yashin, Victor V" sort="Yashin, Victor V" uniqKey="Yashin V" first="Victor V" last="Yashin">Victor V. Yashin</name></author><author><name sortKey="Kowalewski, Tomasz" sort="Kowalewski, Tomasz" uniqKey="Kowalewski T" first="Tomasz" last="Kowalewski">Tomasz Kowalewski</name></author><author><name sortKey="Matyjaszewski, Krzysztof" sort="Matyjaszewski, Krzysztof" uniqKey="Matyjaszewski K" first="Krzysztof" last="Matyjaszewski">Krzysztof Matyjaszewski</name></author><author><name sortKey="Balazs, Anna C" sort="Balazs, Anna C" uniqKey="Balazs A" first="Anna C" last="Balazs">Anna C. Balazs</name></author></titleStmt><publicationStmt><idno type="wicri:source">PubMed</idno><date when="2014">2014</date><idno type="RBID">pubmed:24652523</idno><idno type="pmid">24652523</idno><idno type="doi">10.1039/c3sm52300d</idno><idno type="wicri:Area/PubMed/Corpus">003571</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Corpus" wicri:corpus="PubMed">003571</idno><idno type="wicri:Area/PubMed/Curation">003548</idno><idno type="wicri:explorRef" wicri:stream="PubMed" wicri:step="Curation">003548</idno><idno type="wicri:Area/PubMed/Checkpoint">003548</idno><idno type="wicri:explorRef" wicri:stream="Checkpoint" wicri:step="PubMed">003548</idno><idno type="wicri:Area/Ncbi/Merge">001702</idno><idno type="wicri:Area/Ncbi/Curation">001702</idno><idno type="wicri:Area/Ncbi/Checkpoint">001702</idno><idno type="wicri:Area/Main/Merge">002177</idno><idno type="wicri:Area/Main/Curation">002090</idno><idno type="wicri:Area/Main/Exploration">002090</idno></publicationStmt><sourceDesc><biblStruct><analytic><title xml:lang="en">Modeling polymer grafted nanoparticle networks reinforced by high-strength chains.</title><author><name sortKey="Hamer, Matthew J" sort="Hamer, Matthew J" uniqKey="Hamer M" first="Matthew J" last="Hamer">Matthew J. Hamer</name><affiliation wicri:level="4"><nlm:affiliation>Chemical Engineering Department, University of Pittsburgh, Pennsylvania 15261, USA. balazs@pitt.edu.</nlm:affiliation><country xml:lang="fr">États-Unis</country><wicri:regionArea>Chemical Engineering Department, University of Pittsburgh, Pennsylvania 15261</wicri:regionArea><orgName type="university">Université de Pittsburgh</orgName><placeName><settlement type="city">Pittsburgh</settlement><region type="state">Pennsylvanie</region></placeName></affiliation></author><author><name sortKey="Iyer, Balaji V S" sort="Iyer, Balaji V S" uniqKey="Iyer B" first="Balaji V S" last="Iyer">Balaji V S. Iyer</name></author><author><name sortKey="Yashin, Victor V" sort="Yashin, Victor V" uniqKey="Yashin V" first="Victor V" last="Yashin">Victor V. Yashin</name></author><author><name sortKey="Kowalewski, Tomasz" sort="Kowalewski, Tomasz" uniqKey="Kowalewski T" first="Tomasz" last="Kowalewski">Tomasz Kowalewski</name></author><author><name sortKey="Matyjaszewski, Krzysztof" sort="Matyjaszewski, Krzysztof" uniqKey="Matyjaszewski K" first="Krzysztof" last="Matyjaszewski">Krzysztof Matyjaszewski</name></author><author><name sortKey="Balazs, Anna C" sort="Balazs, Anna C" uniqKey="Balazs A" first="Anna C" last="Balazs">Anna C. Balazs</name></author></analytic><series><title level="j">Soft matter</title><idno type="eISSN">1744-6848</idno><imprint><date when="2014" type="published">2014</date></imprint></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Computer Simulation</term><term>Models, Chemical</term><term>Nanoparticles (chemistry)</term><term>Polymers (chemistry)</term><term>Tensile Strength</term></keywords><keywords scheme="KwdFr" xml:lang="fr"><term>Modèles chimiques</term><term>Nanoparticules ()</term><term>Polymères ()</term><term>Résistance à la traction</term><term>Simulation numérique</term></keywords><keywords scheme="MESH" type="chemical" qualifier="chemistry" xml:lang="en"><term>Polymers</term></keywords><keywords scheme="MESH" qualifier="chemistry" xml:lang="en"><term>Nanoparticles</term></keywords><keywords scheme="MESH" xml:lang="en"><term>Computer Simulation</term><term>Models, Chemical</term><term>Tensile Strength</term></keywords><keywords scheme="MESH" xml:lang="fr"><term>Modèles chimiques</term><term>Nanoparticules</term><term>Polymères</term><term>Résistance à la traction</term><term>Simulation numérique</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Using a multi-scale computational approach, we determine the effect of introducing a small fraction of high-strength connections between cross-linked nanoparticles. The nanoparticles' rigid cores are decorated with a corona of grafted polymers, which contain reactive functional groups at the chain ends. With the overlap of neighboring coronas, these reactive groups can form weak labile bonds, which can reform after breakage, or stronger bonds, which rupture irreversibly and thus, the nanoparticles are interconnected by dual cross-links. We show that this network can be reinforced by the addition of high-strength connections, which model polymer arms bound together by bonds with energies on the order of 100 kBT. We demonstrate that in the course of these simulations, these high-strength connections can be treated as unbreakable chains. By subjecting networks with a random distribution of the unbreakable chains to tensile deformation at a constant strain-rate, we determine the distribution of strain at break and toughness. With even a small amount of unbreakable chains, the nanoparticle networks can survive strains far greater than the networks without these connections. Furthermore, networks containing the high-strength connections tend to form long, thin threads, which enable a larger strain at break. The findings provide guidelines for creating polymer grafted nanoparticles networks that could show remarkable strength and ductility.</div></front></TEI><affiliations><list><country><li>États-Unis</li></country><region><li>Pennsylvanie</li></region><settlement><li>Pittsburgh</li></settlement><orgName><li>Université de Pittsburgh</li></orgName></list><tree><noCountry><name sortKey="Balazs, Anna C" sort="Balazs, Anna C" uniqKey="Balazs A" first="Anna C" last="Balazs">Anna C. Balazs</name><name sortKey="Iyer, Balaji V S" sort="Iyer, Balaji V S" uniqKey="Iyer B" first="Balaji V S" last="Iyer">Balaji V S. Iyer</name><name sortKey="Kowalewski, Tomasz" sort="Kowalewski, Tomasz" uniqKey="Kowalewski T" first="Tomasz" last="Kowalewski">Tomasz Kowalewski</name><name sortKey="Matyjaszewski, Krzysztof" sort="Matyjaszewski, Krzysztof" uniqKey="Matyjaszewski K" first="Krzysztof" last="Matyjaszewski">Krzysztof Matyjaszewski</name><name sortKey="Yashin, Victor V" sort="Yashin, Victor V" uniqKey="Yashin V" first="Victor V" last="Yashin">Victor V. Yashin</name></noCountry><country name="États-Unis"><region name="Pennsylvanie"><name sortKey="Hamer, Matthew J" sort="Hamer, Matthew J" uniqKey="Hamer M" first="Matthew J" last="Hamer">Matthew J. Hamer</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
EXPLOR_STEP=$WICRI_ROOT/Wicri/Amérique/explor/PittsburghV1/Data/Main/Exploration
HfdSelect -h $EXPLOR_STEP/biblio.hfd -nk 002090 | SxmlIndent | more
Ou
HfdSelect -h $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd -nk 002090 | SxmlIndent | more
Pour mettre un lien sur cette page dans le réseau Wicri
{{Explor lien
|wiki= Wicri/Amérique
|area= PittsburghV1
|flux= Main
|étape= Exploration
|type= RBID
|clé= pubmed:24652523
|texte= Modeling polymer grafted nanoparticle networks reinforced by high-strength chains.
}}
Pour générer des pages wiki
HfdIndexSelect -h $EXPLOR_AREA/Data/Main/Exploration/RBID.i -Sk "pubmed:24652523" \
| HfdSelect -Kh $EXPLOR_AREA/Data/Main/Exploration/biblio.hfd \
| NlmPubMed2Wicri -a PittsburghV1
| This area was generated with Dilib version V0.6.38. |  |