Thermodynamics of the adsorption of flexible polymers on nanowires
- Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
- Institut für Theoretische Physik and Centre for Theoretical Sciences (NTZ), Universität Leipzig, Postfach 100 920, D-04009 Leipzig (Germany)
- Soft Matter Systems Research Group, Center for Simulational Physics, The University of Georgia, Athens, Georgia 30602 (United States)
Generalized-ensemble simulations enable the study of complex adsorption scenarios of a coarse-grained model polymer near an attractive nanostring, representing an ultrathin nanowire. We perform canonical and microcanonical statistical analyses to investigate structural transitions of the polymer and discuss their dependence on the temperature and on model parameters such as effective wire thickness and attraction strength. The result is a complete hyperphase diagram of the polymer phases, whose locations and stability are influenced by the effective material properties of the nanowire and the strength of the thermal fluctuations. Major structural polymer phases in the adsorbed state include compact droplets attached to or wrapping around the wire, and tubelike conformations with triangular pattern that resemble ideal boron nanotubes. The classification of the transitions is performed by microcanonical inflection-point analysis.
- OSTI ID:
- 22415517
- Journal Information:
- Journal of Chemical Physics, Vol. 142, Issue 10; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
Adsorption and collapse of self-avoiding walks and polygons in three dimensions
|
journal | October 1996 |
Similar Records
Structural phases of adsorption for flexible polymers on nanocylinder surfaces
Persistence Length Control of the Polyelectrolyte Layer-by-Layer Self-Assembly on Carbon Nanotubes