Library

eCommons

 

Dynamics of Solvent-free Grafted Nanoparticles

Simple item page
dc.contributor.authorChremos, Alexandros
dc.contributor.authorPanagiotopoulos, Athanassios
dc.contributor.authorKoch, Donald
dc.date.accessioned2015-05-08T14:52:03Z
dc.date.available2015-05-08T14:52:03Z
dc.date.issued2012-01-26
dc.description.abstractThe diffusivity and structural relaxation characteristics of oligomer-grafted nanoparticles have been investigated with simulations of a previously proposed coarse-grained model at atmospheric pressure. Solvent-free, polymer-grafted nanoparticles as well as grafted nanoparticles in a melt were compared to a reference system of bare (ungrafted) particles in a melt. Whereas longer chains lead to a larger hydrodynamic radius and lower relative diffusivity for grafted particles in a melt, bulk solvent-free nanoparticles with longer chains have higher relative diffusivities than their short chain counterparts. Solvent-free nanoparticles with short chains undergo a glass transition as indicated by a vanishing diffusivity, diverging structural relaxation time and the formation of body-centered-cubic-like order. Nanoparticles with longer chains exhibit a more gradual increase in the structural relaxation time with decreasing temperature and concomitantly increasing particle volume fraction. The diffusivity of the long chain nanoparticles exhibits a minimum at an intermediate temperature and volume fraction where the polymer brushes of neighboring particles overlap, but must stretch to fill the interparticle space.en_US
dc.description.sponsorshipThe authors would like to thank Professor Fernando Escobedo and Hsiu-Yu Yu for helpful discussions and Professor Escobedo for suggesting the simulation model used in this work. This publication is based on work supported in part by Award No.KUS-C1-018-02, made by King Abdullah University of Science and Technology (KAUST). Additional support was provided by grant CBET-1033155 from the U.S. National Science Foundation (NSF).en_US
dc.identifier.citationChremos, Alexandros, Athanassios Z. Panagiotopoulos, and Donald L. Koch. "Dynamics of Solvent-free Grafted Nanoparticles." The Journal of Chemical Physics 136.4 (2012): 044902. Web.en_US
dc.identifier.urihttps://hdl.handle.net/1813/40135
dc.language.isoen_USen_US
dc.publisherThe Journal of Chemical Physicsen_US
dc.subjectoligomer-grafted nanoparticlesen_US
dc.subjectpolymer-grafted nanoparticlesen_US
dc.subjectnanoparticles with longer chainsen_US
dc.titleDynamics of Solvent-free Grafted Nanoparticlesen_US
dc.typearticleen_US

Files

Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
Dynamics of Solvent-free Grafted Nanoparticles.pdf
Size:
447.24 KB
Format:
Adobe Portable Document Format
Description:
Main article
Download

Collections

Energy and Sustainability Publications