Predicting the Disorder–Order Transition of Solvent-Free Nanoparticle–Organic Hybrid Materials

Handle URI:
http://hdl.handle.net/10754/599384
Title:
Predicting the Disorder–Order Transition of Solvent-Free Nanoparticle–Organic Hybrid Materials
Authors:
Yu, Hsiu-Yu; Koch, Donald L.
Abstract:
The transition from a disordered to a face-centered-cubic phase in solvent-free oligomer-tethered nanoparticles is predicted using a density-functional theory for model hard spheres with tethered bead-spring oligomers. The transition occurs without a difference of volume fraction for the two phases, and the phase boundary is influenced by the loss of oligomer configurational entropy relative to an ideal random system in one phase compared with the other. When the particles are localized in the ordered phase, the cooperation of the oligomers in filling the space is hindered. Therefore, shorter oligomers feel a stronger entropic penalty in the ordered solid and favor the disordered phase. Strikingly, we found that the solvent-free system has a later transition than hard spheres for all investigated ratios of oligomer radius of gyration to particle radius. © 2013 American Chemical Society.
Citation:
Yu H-Y, Koch DL (2013) Predicting the Disorder–Order Transition of Solvent-Free Nanoparticle–Organic Hybrid Materials. Langmuir 29: 8197–8202. Available: http://dx.doi.org/10.1021/la401252y.
Publisher:
American Chemical Society (ACS)
Journal:
Langmuir
KAUST Grant Number:
KUS-C1-018-02
Issue Date:
2-Jul-2013
DOI:
10.1021/la401252y
PubMed ID:
23786247
Type:
Article
ISSN:
0743-7463; 1520-5827
Sponsors:
This work was supported by Grant KUS-C1-018-02, given by King Abdullah University of Science and Technology (KAUST).
Appears in Collections:
Publications Acknowledging KAUST Support

Full metadata record

DC FieldValue Language
dc.contributor.authorYu, Hsiu-Yuen
dc.contributor.authorKoch, Donald L.en
dc.date.accessioned2016-02-28T05:50:05Zen
dc.date.available2016-02-28T05:50:05Zen
dc.date.issued2013-07-02en
dc.identifier.citationYu H-Y, Koch DL (2013) Predicting the Disorder–Order Transition of Solvent-Free Nanoparticle–Organic Hybrid Materials. Langmuir 29: 8197–8202. Available: http://dx.doi.org/10.1021/la401252y.en
dc.identifier.issn0743-7463en
dc.identifier.issn1520-5827en
dc.identifier.pmid23786247en
dc.identifier.doi10.1021/la401252yen
dc.identifier.urihttp://hdl.handle.net/10754/599384en
dc.description.abstractThe transition from a disordered to a face-centered-cubic phase in solvent-free oligomer-tethered nanoparticles is predicted using a density-functional theory for model hard spheres with tethered bead-spring oligomers. The transition occurs without a difference of volume fraction for the two phases, and the phase boundary is influenced by the loss of oligomer configurational entropy relative to an ideal random system in one phase compared with the other. When the particles are localized in the ordered phase, the cooperation of the oligomers in filling the space is hindered. Therefore, shorter oligomers feel a stronger entropic penalty in the ordered solid and favor the disordered phase. Strikingly, we found that the solvent-free system has a later transition than hard spheres for all investigated ratios of oligomer radius of gyration to particle radius. © 2013 American Chemical Society.en
dc.description.sponsorshipThis work was supported by Grant KUS-C1-018-02, given by King Abdullah University of Science and Technology (KAUST).en
dc.publisherAmerican Chemical Society (ACS)en
dc.titlePredicting the Disorder–Order Transition of Solvent-Free Nanoparticle–Organic Hybrid Materialsen
dc.typeArticleen
dc.identifier.journalLangmuiren
dc.contributor.institutionCornell University, Ithaca, United Statesen
kaust.grant.numberKUS-C1-018-02en

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