Molecular Dynamics Simulations of Capillary Rise Experiments in Nanotubes Coated with Polymer Brushes †
✍ Scribed by Dimitrov, D. I.; Milchev, A.; Binder, K.
- Book ID
- 120299422
- Publisher
- American Chemical Society
- Year
- 2008
- Tongue
- English
- Weight
- 708 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0743-7463
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📜 SIMILAR VOLUMES
## Abstract **Summary:** The structure of polymer brushes is investigated by dissipative particle dynamics (DPD) simulations that include explicit solvent particles. With an appropriate choice of the DPD interaction parameters $a\_{ij}$, we obtain good agreement with previous molecular dynamics (MD
## Abstract **Summary:** Molecular dynamics simulations of a coarse‐grained bead‐spring model of flexible macromolecules tethered with one end to the surface of a cylindrical pore are presented. Chain length __N__ and grafting density σ are varied over a wide range and the crossover from “mushroom”