Charge-dependent conformations and dynamics of PAMAM dendrimers revealed by neutron scattering and molecular dynamics
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Authors
Wu, Bin
Issue Date
2013-08
Type
Electronic thesis
Thesis
Thesis
Language
ENG
Keywords
Nuclear engineering and science
Alternative Title
Abstract
Aside from structural comparisons between MD simulations and experiments, we utilized MD simulation to decipher the previously reported QENS experimental observation that the segmental dynamics of PAMAM dendrimer would enhance with increasing molecular charge. We pursued the mechanism from the perspective of hydrocarbon component of dendrimer and solvent (water) interaction as a form similar to hydrogen bonding. It is found that the population of this bonding would increase and the corresponding relaxation would slow down as molecular charge increases. We perceive that through more and longer interaction between penetrating water molecules and polymeric part of dendrimer, the dynamics of latter could be enhanced.
Description
August 2013
School of Engineering
School of Engineering
Full Citation
Publisher
Rensselaer Polytechnic Institute, Troy, NY