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Modeling Nanosized Single Molecule Objects: Dendronized Polymers Adsorbed onto Mica
- Source :
- UPCommons. Portal del coneixement obert de la UPC, Universitat Politècnica de Catalunya (UPC), Recercat. Dipósit de la Recerca de Catalunya, Universitat Jaume I
- Publication Year :
- 2015
- Publisher :
- American Chemical Society (ACS), 2015.
-
Abstract
- We attempt to provide direct evidence for the suggested behavior of dendronized polymers as molecular objects (i.e., single shape persistent macromolecules). For this purpose, the microscopic structure of dendronized polymers adsorbed onto mica has been investigated using atomistic molecular dynamics simulations. We find that the shape of the second to fourth generation dendronized polymers is basically kept upon adsorption due to substantial backfolding within their interior. The fluctuation strength of the polymer backbones, which is seen to decrease with increasing generation, also indicates that these individual macromolecules exhibit molecular object behavior in the nanosize range.
- Subjects :
- DYNAMICS
Dendrimers
ADSORPTION
Materials science
Quartz crystal microbalances
Nanotechnology
ORGANIZATION
Force field (chemistry)
COMPUTER-SIMULATION
Molecular dynamics
Enginyeria química [Àrees temàtiques de la UPC]
Adsorption
QUARTZ-CRYSTAL MICROBALANCE
Simulació per ordinador
Adsorció
Molecule
Physical and Theoretical Chemistry
chemistry.chemical_classification
Física [Àrees temàtiques de la UPC]
POLY(AMIDOAMINE) DENDRIMERS
Quartz crystal microbalance
Polymer
Computer simulation
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
General Energy
HOMOLOGOUS SERIES
chemistry
Chemical physics
FORCE-FIELD
Mica
SYSTEM
Macromolecule
Subjects
Details
- ISSN :
- 19327455 and 19327447
- Volume :
- 119
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry C
- Accession number :
- edsair.doi.dedup.....12979535f1d70539fe3510d24f9648f5