Predicting the Disorder–Order Transition of Solvent-Free Nanoparticle–Organic Hybrid Materials
KAUST Grant NumberKUS-C1-018-02
Online Publication Date2013-06-20
Print Publication Date2013-07-02
Permanent link to this recordhttp://hdl.handle.net/10754/599384
MetadataShow full item record
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.
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.
SponsorsThis work was supported by Grant KUS-C1-018-02, given by King Abdullah University of Science and Technology (KAUST).
PublisherAmerican Chemical Society (ACS)
CollectionsPublications Acknowledging KAUST Support
- Structure factor of blends of solvent-free nanoparticle-organic hybrid materials: density-functional theory and small angle X-ray scattering.
- Authors: Yu HY, Srivastava S, Archer LA, Koch DL
- Issue date: 2014 Dec 7
- Structure of solvent-free nanoparticle-organic hybrid materials.
- Authors: Yu HY, Koch DL
- Issue date: 2010 Nov 16
- Structure of solvent-free grafted nanoparticles: molecular dynamics and density-functional theory.
- Authors: Chremos A, Panagiotopoulos AZ, Yu HY, Koch DL
- Issue date: 2011 Sep 21
- Dynamics of solvent-free grafted nanoparticles.
- Authors: Chremos A, Panagiotopoulos AZ, Koch DL
- Issue date: 2012 Jan 28
- Phase behavior of polymer/nanoparticle blends near a substrate.
- Authors: McGarrity ES, Frischknecht AL, Mackay ME
- Issue date: 2008 Apr 21