Variable Connectivity Methods for the Atomistic Monte Carlo Simulation of Inhomogeneous and/or Anisotropic Polymer Systems of Precisely Defined Chain Length Distribution:  Tuning the Spectrum of Chain Relative Chemical Potentials

2003 ◽  
Vol 36 (17) ◽  
pp. 6674-6682 ◽  
Author(s):  
Kostas Ch. Daoulas ◽  
Andreas F. Terzis ◽  
Vlasis G. Mavrantzas
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Chain Length ◽  
Length Distribution ◽  
Chain Length Distribution ◽  
Polymer Systems ◽  
Chemical Potentials

Direct Observation of Chain Lengths and Conformations in Oligofluorene Distributions from Controlled Polymerization by Double Electron-Electron Resonance

2019 ◽  
Author(s):  
Dennis Bücker ◽  
Annika Sickinger ◽  
Julian D. Ruiz Perez ◽  
Manuel Oestringer ◽  
Stefan Mecking ◽  
...  
Keyword(s):  
Chain Length ◽  
Length Distribution ◽  
Catalyst System ◽  
Chain Conformation ◽  
Controlled Polymerization ◽  
Chain Length Distribution ◽  
Electron Resonance ◽  
Double Electron ◽  
The Individual ◽  
Double Electron Electron Resonance

Synthetic polymers are mixtures of different length chains, and their chain length and chain conformation is often experimentally characterized by ensemble averages. We demonstrate that Double-Electron-Electron-Resonance (DEER) spectroscopy can reveal the chain length distribution, and chain conformation and flexibility of the individual n-mers in oligo-(9,9-dioctylfluorene) from controlled Suzuki-Miyaura Coupling Polymerization (cSMCP). The required spin-labeled chain ends were introduced efficiently via a TEMPO-substituted initiator and chain terminating agent, respectively, with an in situ catalyst system. Individual precise chain length oligomers as reference materials were obtained by a stepwise approach. Chain length distribution, chain conformation and flexibility can also be accessed within poly(fluorene) nanoparticles.

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