Abstract
Self-assembly of AB diblock copolymer confined in concentric-cylindrical nanopores was studied using MesoDyn simulation. Our calculation shows that in this confined geometry a zoo of exotic structures can be formed. These structures include bicontinuous phases like carbon nanotube, imperfect single helixes and double helixes. Moreover, the dependence of the chain conformation on the volume fraction, concentration, the interactions between blocks and the diameter of the cylindrical pore are investigated. The results of these simulations can be used to predict the diblock copolymer morphologies confined in concentric-cylindrical nanopores and should be helpful in designing polymeric nanomaterials in the future.
| Original language | English |
|---|---|
| Pages (from-to) | 1819-1824 |
| Number of pages | 6 |
| Journal | Journal of Molecular Modeling |
| Volume | 16 |
| Issue number | 12 |
| DOIs | |
| Publication status | Published - 2010 |
Scopus Subject Areas
- Catalysis
- Computer Science Applications
- Physical and Theoretical Chemistry
- Organic Chemistry
- Computational Theory and Mathematics
- Inorganic Chemistry
User-Defined Keywords
- Block copolymer
- Mesoscale simulation
- Patterned model