Particle distribution in a polymer nano-composite
- Los Alamos National Laboratory
- NCSR, GREECE
We use the hybrid particle-Self Consistent Field calculation (hybrid particle-SCF) to study the distribution of particles in a multi-block copolymer nano-composite. Using the static approach, we first find the effective interaction potential between the nano-particles and the polymer. The interaction has an entropic and an enthalpic component. The dynamical simulation confirms that the distribution of particles has a maximum at the minima of the interaction potential. We also study the situation where the nano-particles are distributed in a blend of AB diblock and A homopolymer. In this case, for large homopolymer concentration (larger than 20%), an interface is created between components that are identical, but they come from different types of polymer chains (i.e. the AB diblock or the A homopolymer). We find that the interaction potential has a minimum in this A/A interface which is of pure entropic origin. Furthermore the dynamical simulation reveals that the distribution of nano-particles has a maximum in the area around this interface.
- Research Organization:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- AC52-06NA25396
- OSTI ID:
- 962350
- Report Number(s):
- LA-UR-09-01511; LA-UR-09-1511; TRN: US200919%%110
- Resource Relation:
- Conference: APS Meeting ; March 16, 2009 ; Pittsburgh, PA
- Country of Publication:
- United States
- Language:
- English
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