Diaz, Javier, Pinna, Marco, Zvelindovsky, Andrei V. , Asta, Adelchi and Pagonabarraga, Ignacio (2017) Cell dynamic simulations of diblock copolymer/colloid systems. Macromolecular Theory and Simulations, 26 (1). ISSN 1521-3919
Full content URL: https://doi.org/10.1002/mats.201600050
Documents |
|
|
![]() |
PDF
D-az_et_al-2016-Macromolecular_Theory_and_Simulations.pdf - Whole Document Restricted to Repository staff only 3MB | |
![]() |
PDF
24000 intro.pdf - Whole Document Restricted to Repository staff only 5MB |
Item Type: | Article |
---|---|
Item Status: | Live Archive |
Abstract
The presence of nanoparticles in a diblock copolymer leads to changes in the morphology and properties of the matrix and can produce highly organized hybrid materials. The resulting material properties depend not only on the polymer composition but also on the size, shape, and surface properties of the colloids. The dynamics of this kind of systems using a hybrid mesoscopic approach has been studied in this work. A continuum description for the polymer is used, while colloids are individually resolved. The method allows for a variable preference of the colloids, which can have different sizes, to the different components the block copolymer is made of. The impact that the nanoparticle preference for either, both, or none of the blocks has on the collective properties of nanoparticle–block copolymer composites can be analyzed. Several experimental results are reproduced covering colloid-induced phase transition, particles' placement within the matrix, and the role of incompatibilities between colloids and monomers.
Keywords: | AB diblock copolymers, Colloids, Numerical methods, Cell dynamics simulation, Computer simulation |
---|---|
Subjects: | F Physical Sciences > F200 Materials Science F Physical Sciences > F162 Polymer Chemistry F Physical Sciences > F343 Computational Physics |
Divisions: | College of Science > School of Mathematics and Physics |
Related URLs: | |
ID Code: | 24000 |
Deposited On: | 02 Sep 2016 11:24 |
Repository Staff Only: item control page