scholarly journals Dynamics of Nanoparticles in Polydisperse Polymer Networks: from Free Diffusion to Hopping

2021 ◽  
Author(s):  
Valerio Sorichetti ◽  
Virginie Hugouvieux ◽  
Walter Kob
Keyword(s):  
Polymer Networks ◽  
Free Diffusion ◽  
Polydisperse Polymer

Microscopic Nonaffine Deformation of Polydisperse Polymer Networks

1995 ◽  
Vol 28 (17) ◽  
pp. 5906-5909 ◽  
Author(s):  
G. Glatting ◽  
R. G. Winkler ◽  
P. Reineker
Keyword(s):  
Polymer Networks ◽  
Polydisperse Polymer ◽  
Nonaffine Deformation

scholarly journals Tuning the selective permeability of polydisperse polymer networks

Soft Matter ◽  
2020 ◽  
Vol 16 (35) ◽  
pp. 8144-8154 ◽  
Author(s):  
Won Kyu Kim ◽  
Richard Chudoba ◽  
Sebastian Milster ◽  
Rafael Roa ◽  
Matej Kanduč ◽  
...  
Keyword(s):  
Computer Simulations ◽  
Polymer Networks ◽  
Model Membranes ◽  
Coarse Grained ◽  
Implicit Solvent ◽  
Selective Permeability ◽  
Polydisperse Polymer

We study the permeability and selectivity (‘permselectivity’) of model membranes made of polydisperse polymer networks for molecular penetrant transport, using coarse-grained, implicit-solvent computer simulations.

Crosslinker Chemistry Determines the Uptake Potential of Perfluorinated Alkyl Substances by β-Cyclodextrin Polymers

2018 ◽  
Author(s):  
Leilei Xiao ◽  
Casey Ching ◽  
Yuhan Ling ◽  
Mohammadreza Nasiri ◽  
Max Justin Klemes ◽  
...  
Keyword(s):  
Binding Affinity ◽  
Polymer Networks ◽  
Cyclodextrin Polymer ◽  
Perfluorinated Alkyl Substances ◽  
Cyclodextrin Polymers

This work describes several crosslinked β-cyclodextrin polymer networks and correlates the crosslinker chemistry with binding affinity for per- and polyfluorinated alkyl substances (PFASs), including PFOA and PFOS.

Design and Synthesis of Two-Dimensional Covalent Organic Frameworks with Four-Arm Cores: Prediction of Remarkable Ambipolar Charge-Transport Properties

2019 ◽  
Author(s):  
Simil Thomas ◽  
Hong Li ◽  
Raghunath R. Dasari ◽  
Austin Evans ◽  
William Dichtel ◽  
...  
Keyword(s):  
Charge Transport ◽  
Organic Semiconductors ◽  
Density Functional ◽  
Polymer Networks ◽  
Two Dimensional ◽  
Covalent Organic Frameworks ◽  
X Ray Diffraction ◽  
Zinc Porphyrin ◽  
Design And Synthesis ◽  
Predicted Values

<p>We have considered three two-dimensional (2D) π-conjugated polymer networks (i.e., covalent organic frameworks, COFs) materials based on pyrene, porphyrin, and zinc-porphyrin cores connected <i>via</i> diacetylenic linkers. Their electronic structures, investigated at the density functional theory global-hybrid level, are indicative of valence and conduction bands that have large widths, ranging between 1 and 2 eV. Using a molecular approach to derive the electronic couplings between adjacent core units and the electron-vibration couplings, the three π-conjugated 2D COFs are predicted to have ambipolar charge-transport characteristics with electron and hole mobilities in the range of 65-95 cm<sup>2</sup>V<sup>-1</sup>s<sup>-1</sup>. Such predicted values rank these 2D COFs among the highest-mobility organic semiconductors. In addition, we have synthesized the zinc-porphyrin based 2D COF and carried out structural characterization via powder X-ray diffraction and surface area analysis, which demonstrates the feasability of these electroactive networks.</p>

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