Nanoparticle formation by crosslinking a macromoleculeJ. W. Liu1, M. E. Mackay1, 2 and P. M. Duxbury1
1 Department of Physics & Astronomy, Michigan State University - East Lansing, MI 48824, USA
2 Department of Chemical Engineering and Materials Science, Michigan State University East Lansing, MI 48824, USA
received 7 June 2008; accepted in final form 7 October 2008; published November 2008
published online 11 November 2008
Motivated by a recent upsurge in experimental studies of nanoparticles formed by unimolecular crosslinking, we present several models to elucidate the atomic scale processes through which these nanoparticles are formed. Extensive simulations demonstrate that the crosslinking temperature, the polymer chain persistence length, the crosslinker rigidity, and the crosslinker sequence, yield the flexibility required to produce a diversity of nanoparticle morphologies and functionalities.
64.70.km - Polymers.
64.70.Nd - Structural transitions in nanoscale materials.
07.05.Tp - Computer modeling and simulation.
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